3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide

C15H21ClN2OS — CID 120598283

IUPAC3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)CCSc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C15H21ClN2OS/c1-11-10-13(6-8-17-11)18-15(19)7-9-20-14-4-2-12(16)3-5-14/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyGBYVAPXTUUYJGL-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.08
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120598283) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID120598283
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)CCSc2ccc(Cl)cc2)CCN1
InChIInChI=1S/C15H21ClN2OS/c1-11-10-13(6-8-17-11)18-15(19)7-9-20-14-4-2-12(16)3-5-14/h2-5,11,13,17H,6-10H2,1H3,(H,18,19)
InChIKeyGBYVAPXTUUYJGL-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600010
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601826
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
3-(5-chloro-2-methoxyanilino)-N-(2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120598207
2-(4-chlorophenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119388445
4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
CID 120600804
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
3-(4-fluorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119453174

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide (CID 120598283) is 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide is CC1CC(NC(=O)CCSc2ccc(Cl)cc2)CCN1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is GBYVAPXTUUYJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-11-10-13(6-8-17-11)18-15(19)7-9-20-14-4-2-12(16)3-5-14/h2-5,11,13,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 312.87 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120598283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).