3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol

C10H15NOS — CID 66136520

IUPAC3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol
SMILESCc1cccnc1SC(C)CCO
InChIInChI=1S/C10H15NOS/c1-8-4-3-6-11-10(8)13-9(2)5-7-12/h3-4,6,9,12H,5,7H2,1-2H3
InChIKeyVXAWLTPZDPUDCI-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.25
Rot. Bonds4

About 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol

3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol (PubChem CID 66136520) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol
PubChem CID66136520
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol
SMILESCc1cccnc1SC(C)CCO
InChIInChI=1S/C10H15NOS/c1-8-4-3-6-11-10(8)13-9(2)5-7-12/h3-4,6,9,12H,5,7H2,1-2H3
InChIKeyVXAWLTPZDPUDCI-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-hydroxybutan-2-ylsulfanyl)pyridine-3-carboxylic acid
CID 66104811
3-[[3-[(tert-butylamino)methyl]-2-pyridinyl]sulfanyl]butan-1-ol
CID 114057304
2-(difluoromethylsulfanyl)-3-methylpyridine
CID 145376721
3-(3-methylquinoxalin-2-yl)sulfanylbutan-1-ol
CID 66137216
2-[(3-methyl-2-pyridinyl)sulfanyl]-3-phenylpropanoic acid
CID 62253887
methyl 3-[(3-methyl-2-pyridinyl)sulfanyl]-4-oxopentanoate
CID 155298465
3-(4-hydroxybutan-2-ylsulfanyl)-1-methylpyrazin-2-one
CID 66135865
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
2-[(3-fluoro-2-pyridinyl)sulfanyl]propan-1-amine
CID 82504291
N-(4-hydroxy-2-methylbutyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66108999
(3-methyl-2-pyridinyl) thiohypofluorite
CID 145413096
2-(2,2-difluoroethylsulfanyl)-3-methylpyridine
CID 131020461

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol (CID 66136520) is 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol is Cc1cccnc1SC(C)CCO.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
The InChIKey is VXAWLTPZDPUDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-8-4-3-6-11-10(8)13-9(2)5-7-12/h3-4,6,9,12H,5,7H2,1-2H3.
What are the key properties of 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol?
3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol has a molecular weight of 197.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol is sourced from PubChem (CID 66136520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).