[(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine

C151H194N12O12S12 — CID 167711253

IUPAC[(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine
SMILESCNCC1OCCc2sc3c(c21)CCC3.CNCC1OCCc2sc3c(c21)CCCC3.CNCC1OCCc2sc3c(c21)CCCCC3.CNCC1OCCc2sc3ccc(C)cc3c21.CNCC1OCCc2sc3ccccc3c21.Cc1ccc2sc3c(c2c1)C(CN)OCC3.NCC1OCCc2sc3c(c21)CCC3.NCC1OCCc2sc3c(c21)CCCC3.NCC1OCCc2sc3c(c21)CCCCC3.NCC1OCCc2sc3ccccc3c21.NC[C@@H]1OCCc2sc3ccccc3c21.NC[C@H]1OCCc2sc3ccccc3c21
InChIInChI=1S/C14H17NOS.C14H21NOS.C13H15NOS.C13H19NOS.C13H15NOS.C13H19NOS.2C12H17NOS.3C12H13NOS.C11H15NOS/c1-9-3-4-12-10(7-9)14-11(8-15-2)16-6-5-13(14)17-12;1-15-9-11-14-10-5-3-2-4-6-12(10)17-13(14)7-8-16-11;1-8-2-3-11-9(6-8)13-10(7-14)15-5-4-12(13)16-11;2*1-14-8-10-13-9-4-2-3-5-11(9)16-12(13)6-7-15-10;14-8-10-13-9-4-2-1-3-5-11(9)16-12(13)6-7-15-10;1-13-7-9-12-8-3-2-4-10(8)15-11(12)5-6-14-9;4*13-7-9-12-8-3-1-2-4-10(8)15-11(12)5-6-14-9;12-6-8-11-7-2-1-3-9(7)14-10(11)4-5-13-8/h3-4,7,11,15H,5-6,8H2,1-2H3;11,15H,2-9H2,1H3;2-3,6,10H,4-5,7,14H2,1H3;10,14H,2-8H2,1H3;2-5,10,14H,6-8H2,1H3;10H,1-8,14H2;9,13H,2-7H2,1H3;9H,1-7,13H2;3*1-4,9H,5-7,13H2;8H,1-6,12H2/t;;;;;;;;2*9-;;/m........10../s1
InChIKeyZWIQXAVAYPGXJV-JNDIXPOBSA-N
MW2754.09 g/mol
LogP29.96
Rot. Bonds17

About [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine

[(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine (PubChem CID 167711253) has the molecular formula C151H194N12O12S12 and a molecular weight of 2754.09 g/mol. Its IUPAC name is [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine.

Molecular Properties

Compound Name[(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine
PubChem CID167711253
Molecular FormulaC151H194N12O12S12
Molecular Weight2754.09 g/mol
Exact Mass2751.16
IUPAC Name[(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine
SMILESCNCC1OCCc2sc3c(c21)CCC3.CNCC1OCCc2sc3c(c21)CCCC3.CNCC1OCCc2sc3c(c21)CCCCC3.CNCC1OCCc2sc3ccc(C)cc3c21.CNCC1OCCc2sc3ccccc3c21.Cc1ccc2sc3c(c2c1)C(CN)OCC3.NCC1OCCc2sc3c(c21)CCC3.NCC1OCCc2sc3c(c21)CCCC3.NCC1OCCc2sc3c(c21)CCCCC3.NCC1OCCc2sc3ccccc3c21.NC[C@@H]1OCCc2sc3ccccc3c21.NC[C@H]1OCCc2sc3ccccc3c21
InChIInChI=1S/C14H17NOS.C14H21NOS.C13H15NOS.C13H19NOS.C13H15NOS.C13H19NOS.2C12H17NOS.3C12H13NOS.C11H15NOS/c1-9-3-4-12-10(7-9)14-11(8-15-2)16-6-5-13(14)17-12;1-15-9-11-14-10-5-3-2-4-6-12(10)17-13(14)7-8-16-11;1-8-2-3-11-9(6-8)13-10(7-14)15-5-4-12(13)16-11;2*1-14-8-10-13-9-4-2-3-5-11(9)16-12(13)6-7-15-10;14-8-10-13-9-4-2-1-3-5-11(9)16-12(13)6-7-15-10;1-13-7-9-12-8-3-2-4-10(8)15-11(12)5-6-14-9;4*13-7-9-12-8-3-1-2-4-10(8)15-11(12)5-6-14-9;12-6-8-11-7-2-1-3-9(7)14-10(11)4-5-13-8/h3-4,7,11,15H,5-6,8H2,1-2H3;11,15H,2-9H2,1H3;2-3,6,10H,4-5,7,14H2,1H3;10,14H,2-8H2,1H3;2-5,10,14H,6-8H2,1H3;10H,1-8,14H2;9,13H,2-7H2,1H3;9H,1-7,13H2;3*1-4,9H,5-7,13H2;8H,1-6,12H2/t;;;;;;;;2*9-;;/m........10../s1
InChIKeyZWIQXAVAYPGXJV-JNDIXPOBSA-N
XLogP29.96
TPSA353.05 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds17
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002754.09
LogP ≤ 529.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine?
The IUPAC name of [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine (CID 167711253) is [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine.
What is the SMILES notation for [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine?
The canonical SMILES for [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine is CNCC1OCCc2sc3c(c21)CCC3.CNCC1OCCc2sc3c(c21)CCCC3.CNCC1OCCc2sc3c(c21)CCCCC3.CNCC1OCCc2sc3ccc(C)cc3c21.CNCC1OCCc2sc3ccccc3c21.Cc1ccc2sc3c(c2c1)C(CN)OCC3.NCC1OCCc2sc3c(c21)CCC3.NCC1OCCc2sc3c(c21)CCCC3.NCC1OCCc2sc3c(c21)CCCCC3.NCC1OCCc2sc3ccccc3c21.NC[C@@H]1OCCc2sc3ccccc3c21.NC[C@H]1OCCc2sc3ccccc3c21.
What is the InChIKey of [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine?
The InChIKey is ZWIQXAVAYPGXJV-JNDIXPOBSA-N. The full InChI is InChI=1S/C14H17NOS.C14H21NOS.C13H15NOS.C13H19NOS.C13H15NOS.C13H19NOS.2C12H17NOS.3C12H13NOS.C11H15NOS/c1-9-3-4-12-10(7-9)14-11(8-15-2)16-6-5-13(14)17-12;1-15-9-11-14-10-5-3-2-4-6-12(10)17-13(14)7-8-16-11;1-8-2-3-11-9(6-8)13-10(7-14)15-5-4-12(13)16-11;2*1-14-8-10-13-9-4-2-3-5-11(9)16-12(13)6-7-15-10;14-8-10-13-9-4-2-1-3-5-11(9)16-12(13)6-7-15-10;1-13-7-9-12-8-3-2-4-10(8)15-11(12)5-6-14-9;4*13-7-9-12-8-3-1-2-4-10(8)15-11(12)5-6-14-9;12-6-8-11-7-2-1-3-9(7)14-10(11)4-5-13-8/h3-4,7,11,15H,5-6,8H2,1-2H3;11,15H,2-9H2,1H3;2-3,6,10H,4-5,7,14H2,1H3;10,14H,2-8H2,1H3;2-5,10,14H,6-8H2,1H3;10H,1-8,14H2;9,13H,2-7H2,1H3;9H,1-7,13H2;3*1-4,9H,5-7,13H2;8H,1-6,12H2/t;;;;;;;;2*9-;;/m........10../s1.
What are the key properties of [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine?
[(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine has a molecular weight of 2754.09 g/mol, XLogP of 29.96, 17 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;[(1S)-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl]methanamine;3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-ylmethanamine;1-(3,4,6,7,8,9-hexahydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)-N-methylmethanamine;(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(8-methyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyran-1-yl)methanamine;N-methyl-1-(11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-yl)methanamine;N-methyl-1-(4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-yl)methanamine;11-oxa-7-thiatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-ylmethanamine;4-oxa-8-thiatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-ylmethanamine is sourced from PubChem (CID 167711253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).