4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide

C13H20N4O3S — CID 43787048

IUPAC4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-12-4-2-10(3-5-12)15-11-6-8-17(9-7-11)13(14)18/h2-5,11,15-16H,6-9H2,1H3,(H2,14,18)
InChIKeyYEAGEEDMGKLFLD-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.01
Rot. Bonds4

About 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide

4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide (PubChem CID 43787048) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
PubChem CID43787048
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc(NC2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C13H20N4O3S/c1-21(19,20)16-12-4-2-10(3-5-12)15-11-6-8-17(9-7-11)13(14)18/h2-5,11,15-16H,6-9H2,1H3,(H2,14,18)
InChIKeyYEAGEEDMGKLFLD-UHFFFAOYSA-N
XLogP1.01
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1-carbamoylpiperidin-4-yl)amino]benzoate
CID 43774396
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
CID 43784539
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
1-[4-(4-methylanilino)piperidin-1-yl]ethanone
CID 5307205
4-(4-methyl-3-nitroanilino)piperidine-1-carboxamide
CID 43785542
4-[[4-(methanesulfonamido)benzoyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560518
4-[3-(dimethylamino)anilino]piperidine-1-carboxamide
CID 115376468
4-(3-methylsulfanylanilino)piperidine-1-carboxamide
CID 43757325
4-[(1-acetylpiperidin-4-yl)amino]benzoic acid
CID 43774308
N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide
CID 79458470

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide (CID 43787048) is 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide is CS(=O)(=O)Nc1ccc(NC2CCN(C(N)=O)CC2)cc1.
What is the InChIKey of 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide?
The InChIKey is YEAGEEDMGKLFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-21(19,20)16-12-4-2-10(3-5-12)15-11-6-8-17(9-7-11)13(14)18/h2-5,11,15-16H,6-9H2,1H3,(H2,14,18).
What are the key properties of 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide?
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide is sourced from PubChem (CID 43787048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).