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

C15H23N3O3S — CID 119383671

IUPACN-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-12-4-6-14(7-5-12)22(20,21)18-10-2-3-13(11-18)15(19)17-9-8-16/h4-7,13H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyINDIKXSMJOOLSK-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.47
Rot. Bonds5

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

N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 119383671) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID119383671
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1
InChIInChI=1S/C15H23N3O3S/c1-12-4-6-14(7-5-12)22(20,21)18-10-2-3-13(11-18)15(19)17-9-8-16/h4-7,13H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyINDIKXSMJOOLSK-UHFFFAOYSA-N
XLogP0.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156195
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589
N-(2-aminoethyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971235
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
N-[3-(methylamino)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119431683
(3S)-1-(4-methylphenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 124626205
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
N-(2-aminoethyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971408
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 119383671) is N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCN)C2)cc1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is INDIKXSMJOOLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-4-6-14(7-5-12)22(20,21)18-10-2-3-13(11-18)15(19)17-9-8-16/h4-7,13H,2-3,8-11,16H2,1H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.47, 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-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 119383671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).