(6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C16H27NS2 — CID 106023274

IUPAC(6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCCCCC(CCC)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C16H27NS2/c1-4-6-8-13(7-5-2)17-15-11-12(3)19-16-14(15)9-10-18-16/h9-10,12-13,15,17H,4-8,11H2,1-3H3/t12-,13?,15?/m0/s1
InChIKeyFMGGSOPONRMYAP-OPFPJEHXSA-N
MW297.53 g/mol
LogP5.62
Rot. Bonds7

About (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 106023274) has the molecular formula C16H27NS2 and a molecular weight of 297.53 g/mol. Its IUPAC name is (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID106023274
Molecular FormulaC16H27NS2
Molecular Weight297.53 g/mol
Exact Mass297.16
IUPAC Name(6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCCCCC(CCC)NC1C[C@H](C)Sc2sccc21
InChIInChI=1S/C16H27NS2/c1-4-6-8-13(7-5-2)17-15-11-12(3)19-16-14(15)9-10-18-16/h9-10,12-13,15,17H,4-8,11H2,1-3H3/t12-,13?,15?/m0/s1
InChIKeyFMGGSOPONRMYAP-OPFPJEHXSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 106023274) is (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is CCCCC(CCC)NC1C[C@H](C)Sc2sccc21.
What is the InChIKey of (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is FMGGSOPONRMYAP-OPFPJEHXSA-N. The full InChI is InChI=1S/C16H27NS2/c1-4-6-8-13(7-5-2)17-15-11-12(3)19-16-14(15)9-10-18-16/h9-10,12-13,15,17H,4-8,11H2,1-3H3/t12-,13?,15?/m0/s1.
What are the key properties of (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 297.53 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-octan-4-yl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 106023274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).