N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide

C15H22ClN3O3S — CID 119971235

IUPACN-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1Cl
InChIInChI=1S/C15H22ClN3O3S/c1-11-4-5-13(9-14(11)16)23(21,22)19-8-2-3-12(10-19)15(20)18-7-6-17/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyBCQIPCPBTWXUEC-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.12
Rot. Bonds5

About N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 119971235) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID119971235
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC NameN-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1Cl
InChIInChI=1S/C15H22ClN3O3S/c1-11-4-5-13(9-14(11)16)23(21,22)19-8-2-3-12(10-19)15(20)18-7-6-17/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyBCQIPCPBTWXUEC-UHFFFAOYSA-N
XLogP1.12
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971495
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119383671
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805
N-(2-aminoethyl)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971498
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-3-carboxamide
CID 119971209
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 119971159
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 1456902
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971281
N-(2-aminoethyl)-1-[4-(2-methylbutan-2-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 119971336
N-(2-aminoethyl)-1-[4-(methylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971164

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 119971235) is N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is BCQIPCPBTWXUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-11-4-5-13(9-14(11)16)23(21,22)19-8-2-3-12(10-19)15(20)18-7-6-17/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119971235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).