(6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C14H21NOS2 — CID 113262143

IUPAC(6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(NC1C[C@H](C)Sc2sccc21)C1CCOC1
InChIInChI=1S/C14H21NOS2/c1-9-7-13(12-4-6-17-14(12)18-9)15-10(2)11-3-5-16-8-11/h4,6,9-11,13,15H,3,5,7-8H2,1-2H3/t9-,10?,11?,13?/m0/s1
InChIKeyVBEZMUNWROXVGV-UZJKLBMHSA-N
MW283.46 g/mol
LogP3.69
Rot. Bonds3

About (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

(6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 113262143) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound Name(6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID113262143
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC Name(6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCC(NC1C[C@H](C)Sc2sccc21)C1CCOC1
InChIInChI=1S/C14H21NOS2/c1-9-7-13(12-4-6-17-14(12)18-9)15-10(2)11-3-5-16-8-11/h4,6,9-11,13,15H,3,5,7-8H2,1-2H3/t9-,10?,11?,13?/m0/s1
InChIKeyVBEZMUNWROXVGV-UZJKLBMHSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 113262143) is (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is CC(NC1C[C@H](C)Sc2sccc21)C1CCOC1.
What is the InChIKey of (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is VBEZMUNWROXVGV-UZJKLBMHSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-9-7-13(12-4-6-17-14(12)18-9)15-10(2)11-3-5-16-8-11/h4,6,9-11,13,15H,3,5,7-8H2,1-2H3/t9-,10?,11?,13?/m0/s1.
What are the key properties of (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
(6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 283.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-[1-(oxolan-3-yl)ethyl]-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 113262143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).