N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide

C10H13ClN2OS — CID 130162078

IUPACN-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cnccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-7(6-15-2)10(14)13-9-5-12-4-3-8(9)11/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyTYZAZDSHEIJFRK-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.67
Rot. Bonds4

About N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide

N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide (PubChem CID 130162078) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
PubChem CID130162078
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
SMILESCSCC(C)C(=O)Nc1cnccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-7(6-15-2)10(14)13-9-5-12-4-3-8(9)11/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyTYZAZDSHEIJFRK-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938
4-[(4-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
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N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
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N-(4-chloro-3-pyridinyl)-2-phenylsulfanylacetamide
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4-amino-N-(4-chloro-3-pyridinyl)-4-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide (CID 130162078) is N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide is CSCC(C)C(=O)Nc1cnccc1Cl.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
The InChIKey is TYZAZDSHEIJFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7(6-15-2)10(14)13-9-5-12-4-3-8(9)11/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide?
N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide has a molecular weight of 244.75 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-2-methyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 130162078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).