1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol

C9H14N2OS — CID 60885424

IUPAC1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCCC(O)CSc1ccc(N)cn1
InChIInChI=1S/C9H14N2OS/c1-2-8(12)6-13-9-4-3-7(10)5-11-9/h3-5,8,12H,2,6,10H2,1H3
InChIKeyFHMWXLUYZZCRNV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.53
Rot. Bonds4

About 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol

1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol (PubChem CID 60885424) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
PubChem CID60885424
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol
SMILESCCC(O)CSc1ccc(N)cn1
InChIInChI=1S/C9H14N2OS/c1-2-8(12)6-13-9-4-3-7(10)5-11-9/h3-5,8,12H,2,6,10H2,1H3
InChIKeyFHMWXLUYZZCRNV-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol?
The IUPAC name of 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol (CID 60885424) is 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol.
What is the SMILES notation for 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol?
The canonical SMILES for 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol is CCC(O)CSc1ccc(N)cn1.
What is the InChIKey of 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol?
The InChIKey is FHMWXLUYZZCRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-8(12)6-13-9-4-3-7(10)5-11-9/h3-5,8,12H,2,6,10H2,1H3.
What are the key properties of 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol?
1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol has a molecular weight of 198.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-pyridinyl)sulfanyl]butan-2-ol is sourced from PubChem (CID 60885424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).