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

C16H19NS2 — CID 81301381

IUPAC(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCCc2ccccc2)c2ccsc2S1
InChIInChI=1S/C16H19NS2/c1-12-11-15(14-8-10-18-16(14)19-12)17-9-7-13-5-3-2-4-6-13/h2-6,8,10,12,15,17H,7,9,11H2,1H3/t12-,15?/m0/s1
InChIKeyMQONTPOLLPZURT-SFVWDYPZSA-N
MW289.47 g/mol
LogP4.51
Rot. Bonds4

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

(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 81301381) has the molecular formula C16H19NS2 and a molecular weight of 289.47 g/mol. Its IUPAC name is (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID81301381
Molecular FormulaC16H19NS2
Molecular Weight289.47 g/mol
Exact Mass289.10
IUPAC Name(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESC[C@H]1CC(NCCc2ccccc2)c2ccsc2S1
InChIInChI=1S/C16H19NS2/c1-12-11-15(14-8-10-18-16(14)19-12)17-9-7-13-5-3-2-4-6-13/h2-6,8,10,12,15,17H,7,9,11H2,1H3/t12-,15?/m0/s1
InChIKeyMQONTPOLLPZURT-SFVWDYPZSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.51
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-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 81301381) is (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is C[C@H]1CC(NCCc2ccccc2)c2ccsc2S1.
What is the InChIKey of (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is MQONTPOLLPZURT-SFVWDYPZSA-N. The full InChI is InChI=1S/C16H19NS2/c1-12-11-15(14-8-10-18-16(14)19-12)17-9-7-13-5-3-2-4-6-13/h2-6,8,10,12,15,17H,7,9,11H2,1H3/t12-,15?/m0/s1.
What are the key properties of (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 289.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(2-phenylethyl)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 81301381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).