(3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol

C9H15NOS — CID 95387006

IUPAC(3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol
SMILESC[C@@H]1CSC2=C(CNCC2)[C@@H]1O
InChIInChI=1S/C9H15NOS/c1-6-5-12-8-2-3-10-4-7(8)9(6)11/h6,9-11H,2-5H2,1H3/t6-,9-/m1/s1
InChIKeyBSCBDNQTXGVUDT-HZGVNTEJSA-N
MW185.29 g/mol
LogP0.98
Rot. Bonds

About (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol

(3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol (PubChem CID 95387006) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol
PubChem CID95387006
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol
SMILESC[C@@H]1CSC2=C(CNCC2)[C@@H]1O
InChIInChI=1S/C9H15NOS/c1-6-5-12-8-2-3-10-4-7(8)9(6)11/h6,9-11H,2-5H2,1H3/t6-,9-/m1/s1
InChIKeyBSCBDNQTXGVUDT-HZGVNTEJSA-N
XLogP0.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol?
The IUPAC name of (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol (CID 95387006) is (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol.
What is the SMILES notation for (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol?
The canonical SMILES for (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol is C[C@@H]1CSC2=C(CNCC2)[C@@H]1O.
What is the InChIKey of (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol?
The InChIKey is BSCBDNQTXGVUDT-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H15NOS/c1-6-5-12-8-2-3-10-4-7(8)9(6)11/h6,9-11H,2-5H2,1H3/t6-,9-/m1/s1.
What are the key properties of (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol?
(3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol has a molecular weight of 185.29 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methyl-3,4,5,6,7,8-hexahydro-2H-thiopyrano[3,2-c]pyridin-4-ol is sourced from PubChem (CID 95387006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).