3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol

C10H15NOS — CID 107771098

IUPAC3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol
SMILESCc1cc(SC(C)C(C)O)ccn1
InChIInChI=1S/C10H15NOS/c1-7-6-10(4-5-11-7)13-9(3)8(2)12/h4-6,8-9,12H,1-3H3
InChIKeyFPMFXXLWNVECRI-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.25
Rot. Bonds3

About 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol

3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol (PubChem CID 107771098) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol
PubChem CID107771098
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol
SMILESCc1cc(SC(C)C(C)O)ccn1
InChIInChI=1S/C10H15NOS/c1-7-6-10(4-5-11-7)13-9(3)8(2)12/h4-6,8-9,12H,1-3H3
InChIKeyFPMFXXLWNVECRI-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

3-[(2-methoxy-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771094
4-(3-hydroxybutan-2-ylsulfanyl)pyridine-2-carboximidamide
CID 107770761
3-(4-methylphenyl)sulfanylbutan-2-ol
CID 14194463
1-(2-methyl-4-pyridinyl)ethanol
CID 106756390
3-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 107771123
(1S,2S)-1-amino-1-(2-methyl-4-pyridinyl)propan-2-ol
CID 55295314
(1S,2R)-2-amino-1-(2-methyl-4-pyridinyl)propan-1-ol
CID 96740451
3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
N'-hydroxy-2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136829662
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128
2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107770746
3-[(3,5-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 130816307

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol?
The IUPAC name of 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol (CID 107771098) is 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol.
What is the SMILES notation for 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol?
The canonical SMILES for 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol is Cc1cc(SC(C)C(C)O)ccn1.
What is the InChIKey of 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol?
The InChIKey is FPMFXXLWNVECRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-6-10(4-5-11-7)13-9(3)8(2)12/h4-6,8-9,12H,1-3H3.
What are the key properties of 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol?
3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol has a molecular weight of 197.30 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-pyridinyl)sulfanyl]butan-2-ol is sourced from PubChem (CID 107771098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).