1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C18H23NS2 — CID 81266343

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1cc2c(s1)CCSC2
InChIInChI=1S/C18H23NS2/c1-12(2)13-4-6-14(7-5-13)18(19-3)17-10-15-11-20-9-8-16(15)21-17/h4-7,10,12,18-19H,8-9,11H2,1-3H3
InChIKeyXVLTVXHNNBWNAZ-UHFFFAOYSA-N
MW317.52 g/mol
LogP4.97
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 81266343) has the molecular formula C18H23NS2 and a molecular weight of 317.52 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID81266343
Molecular FormulaC18H23NS2
Molecular Weight317.52 g/mol
Exact Mass317.13
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1cc2c(s1)CCSC2
InChIInChI=1S/C18H23NS2/c1-12(2)13-4-6-14(7-5-13)18(19-3)17-10-15-11-20-9-8-16(15)21-17/h4-7,10,12,18-19H,8-9,11H2,1-3H3
InChIKeyXVLTVXHNNBWNAZ-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 81266343) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is XVLTVXHNNBWNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS2/c1-12(2)13-4-6-14(7-5-13)18(19-3)17-10-15-11-20-9-8-16(15)21-17/h4-7,10,12,18-19H,8-9,11H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 317.52 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 81266343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).