2-pyridin-2-ylsulfanylbutanamide

C9H12N2OS — CID 21127936

IUPAC2-pyridin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ccccn1)C(N)=O
InChIInChI=1S/C9H12N2OS/c1-2-7(9(10)12)13-8-5-3-4-6-11-8/h3-7H,2H2,1H3,(H2,10,12)
InChIKeyVJRMJEXROZTYJF-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.44
Rot. Bonds4

About 2-pyridin-2-ylsulfanylbutanamide

2-pyridin-2-ylsulfanylbutanamide (PubChem CID 21127936) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanylbutanamide
PubChem CID21127936
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name2-pyridin-2-ylsulfanylbutanamide
SMILESCCC(Sc1ccccn1)C(N)=O
InChIInChI=1S/C9H12N2OS/c1-2-7(9(10)12)13-8-5-3-4-6-11-8/h3-7H,2H2,1H3,(H2,10,12)
InChIKeyVJRMJEXROZTYJF-UHFFFAOYSA-N
XLogP1.44
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
5-phenyl-2-pyridin-2-ylsulfanylpentanamide
CID 11119704
(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 795640
(2R)-N-(4-acetylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 949421
ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate
CID 2964289
N-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 23743160
2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
CID 21151060
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
3-amino-2-pyridin-2-ylsulfanylpentan-1-ol
CID 104842239
N-butyl-2-pyridin-2-ylsulfanylpentanamide
CID 14921565
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
methyl 3-cyclohexyl-2-pyridin-2-ylsulfanylpropanoate
CID 15305076

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanylbutanamide?
The IUPAC name of 2-pyridin-2-ylsulfanylbutanamide (CID 21127936) is 2-pyridin-2-ylsulfanylbutanamide.
What is the SMILES notation for 2-pyridin-2-ylsulfanylbutanamide?
The canonical SMILES for 2-pyridin-2-ylsulfanylbutanamide is CCC(Sc1ccccn1)C(N)=O.
What is the InChIKey of 2-pyridin-2-ylsulfanylbutanamide?
The InChIKey is VJRMJEXROZTYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-7(9(10)12)13-8-5-3-4-6-11-8/h3-7H,2H2,1H3,(H2,10,12).
What are the key properties of 2-pyridin-2-ylsulfanylbutanamide?
2-pyridin-2-ylsulfanylbutanamide has a molecular weight of 196.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanylbutanamide is sourced from PubChem (CID 21127936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).