N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide

C15H21ClN2OS — CID 119319504

IUPACN-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide
SMILESCC(C)Sc1ccc(Cl)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C15H21ClN2OS/c1-10(2)20-14-4-3-12(16)9-13(14)18-15(19)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyUABMFJGCEMTDMC-UHFFFAOYSA-N
MW312.87 g/mol
LogP3.78
Rot. Bonds4

About N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide

N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide (PubChem CID 119319504) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide
PubChem CID119319504
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide
SMILESCC(C)Sc1ccc(Cl)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C15H21ClN2OS/c1-10(2)20-14-4-3-12(16)9-13(14)18-15(19)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19)
InChIKeyUABMFJGCEMTDMC-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119776589
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119798016
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119798015
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
1-N-(2,4-dichlorophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144629
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide (CID 119319504) is N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide is CC(C)Sc1ccc(Cl)cc1NC(=O)C1CCNCC1.
What is the InChIKey of N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide?
The InChIKey is UABMFJGCEMTDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2OS/c1-10(2)20-14-4-3-12(16)9-13(14)18-15(19)11-5-7-17-8-6-11/h3-4,9-11,17H,5-8H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide?
N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide has a molecular weight of 312.87 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propan-2-ylsulfanylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 119319504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).