2-pyridin-2-ylsulfanylpentanamide;hydrochloride

C10H15ClN2OS — CID 21127939

IUPAC2-pyridin-2-ylsulfanylpentanamide;hydrochloride
SMILESCCCC(Sc1ccccn1)C(N)=O.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-2-5-8(10(11)13)14-9-6-3-4-7-12-9;/h3-4,6-8H,2,5H2,1H3,(H2,11,13);1H
InChIKeyNUICGXCRNFPNLA-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.25
Rot. Bonds5

About 2-pyridin-2-ylsulfanylpentanamide;hydrochloride

2-pyridin-2-ylsulfanylpentanamide;hydrochloride (PubChem CID 21127939) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanylpentanamide;hydrochloride
PubChem CID21127939
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name2-pyridin-2-ylsulfanylpentanamide;hydrochloride
SMILESCCCC(Sc1ccccn1)C(N)=O.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-2-5-8(10(11)13)14-9-6-3-4-7-12-9;/h3-4,6-8H,2,5H2,1H3,(H2,11,13);1H
InChIKeyNUICGXCRNFPNLA-UHFFFAOYSA-N
XLogP2.25
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-ylsulfanylbutanamide
CID 21127936
N-butyl-2-pyridin-2-ylsulfanylpentanamide
CID 14921565
5-phenyl-2-pyridin-2-ylsulfanylpentanamide
CID 11119704
2-(pyridin-2-yldisulfanyl)pentanoic acid
CID 87433027
2-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide;dihydrochloride
CID 21151060
2-(1-phenylbutylsulfanyl)pyridine
CID 22764663
dimethyl (2S,3S)-2,3-bis(pyridin-2-ylsulfanyl)butanedioate
CID 7140272
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
4-pyridin-2-ylsulfanylpentan-2-one
CID 64727463
(2R)-N-(4-chlorophenyl)-2-pyridin-2-ylsulfanylbutanamide
CID 795640
methyl 3-cyclohexyl-2-pyridin-2-ylsulfanylpropanoate
CID 15305076
2-pyrimidin-2-ylsulfanylpentanoic acid
CID 83038269

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanylpentanamide;hydrochloride?
The IUPAC name of 2-pyridin-2-ylsulfanylpentanamide;hydrochloride (CID 21127939) is 2-pyridin-2-ylsulfanylpentanamide;hydrochloride.
What is the SMILES notation for 2-pyridin-2-ylsulfanylpentanamide;hydrochloride?
The canonical SMILES for 2-pyridin-2-ylsulfanylpentanamide;hydrochloride is CCCC(Sc1ccccn1)C(N)=O.Cl.
What is the InChIKey of 2-pyridin-2-ylsulfanylpentanamide;hydrochloride?
The InChIKey is NUICGXCRNFPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c1-2-5-8(10(11)13)14-9-6-3-4-7-12-9;/h3-4,6-8H,2,5H2,1H3,(H2,11,13);1H.
What are the key properties of 2-pyridin-2-ylsulfanylpentanamide;hydrochloride?
2-pyridin-2-ylsulfanylpentanamide;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanylpentanamide;hydrochloride is sourced from PubChem (CID 21127939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).