3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide

C10H12ClN3O2S — CID 47154150

IUPAC3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1ncccc1Cl
InChIInChI=1S/C10H12ClN3O2S/c1-12-10(16)14-8(15)4-6-17-9-7(11)3-2-5-13-9/h2-3,5H,4,6H2,1H3,(H2,12,14,15,16)
InChIKeyJNORKQQAAIUAKL-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.67
Rot. Bonds4

About 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide

3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 47154150) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID47154150
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1ncccc1Cl
InChIInChI=1S/C10H12ClN3O2S/c1-12-10(16)14-8(15)4-6-17-9-7(11)3-2-5-13-9/h2-3,5H,4,6H2,1H3,(H2,12,14,15,16)
InChIKeyJNORKQQAAIUAKL-UHFFFAOYSA-N
XLogP1.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylsulfanylphenyl)propanamide
CID 134012279
3-(5-amino-2-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79133719
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 47138570
3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 43301810
3-(2-amino-4-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 43250818
3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 39049006
3-[(3-bromo-2-pyridinyl)sulfanyl]propanoic acid
CID 61373345
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132
N-(5-chloro-2-pyridinyl)-2-[(3-chloro-2-pyridinyl)sulfanyl]acetamide
CID 51319436
1-amino-4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methylbutan-2-ol
CID 64813224
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-ethylbutan-2-amine
CID 64631084

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide (CID 47154150) is 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCSc1ncccc1Cl.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is JNORKQQAAIUAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-12-10(16)14-8(15)4-6-17-9-7(11)3-2-5-13-9/h2-3,5H,4,6H2,1H3,(H2,12,14,15,16).
What are the key properties of 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide?
3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 273.75 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 47154150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).