3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol

C9H14N2OS — CID 66103074

IUPAC3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ccncc1N
InChIInChI=1S/C9H14N2OS/c1-7(5-12)6-13-9-2-3-11-4-8(9)10/h2-4,7,12H,5-6,10H2,1H3
InChIKeyKVGISLRIIPUSBY-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.38
Rot. Bonds4

About 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol

3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 66103074) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
PubChem CID66103074
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1ccncc1N
InChIInChI=1S/C9H14N2OS/c1-7(5-12)6-13-9-2-3-11-4-8(9)10/h2-4,7,12H,5-6,10H2,1H3
InChIKeyKVGISLRIIPUSBY-UHFFFAOYSA-N
XLogP1.38
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 79840245
2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
CID 65443798
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
2-methyl-3-pyrazin-2-ylsulfanylpropan-1-ol
CID 66103301
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
CID 43300028
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-methylbutyl)acetamide
CID 43299915
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179
4-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 64771834
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
3-amino-4-(3-hydroxy-2-methylpropyl)sulfanylbenzamide
CID 66105071
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol (CID 66103074) is 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1ccncc1N.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is KVGISLRIIPUSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7(5-12)6-13-9-2-3-11-4-8(9)10/h2-4,7,12H,5-6,10H2,1H3.
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol?
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66103074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).