N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide

C10H13ClN2OS — CID 75498742

IUPACN-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
SMILESCSC(C)CC(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-7(15-2)6-9(14)13-10-8(11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyCGFZQHWWPNXYFT-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.82
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide

N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide (PubChem CID 75498742) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
PubChem CID75498742
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
SMILESCSC(C)CC(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-7(15-2)6-9(14)13-10-8(11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13,14)
InChIKeyCGFZQHWWPNXYFT-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
CID 103094172
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide
CID 95276418
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
1-(3-chloro-2-pyridinyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 103094731

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide (CID 75498742) is N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide is CSC(C)CC(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide?
The InChIKey is CGFZQHWWPNXYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-7(15-2)6-9(14)13-10-8(11)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide?
N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide has a molecular weight of 244.75 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide is sourced from PubChem (CID 75498742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).