3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide

C14H21N3O3S — CID 63132301

IUPAC3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCNC1
InChIInChI=1S/C14H21N3O3S/c1-2-14(7-4-8-16-10-14)13(18)17-11-5-3-6-12(9-11)21(15,19)20/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyAZXSHXTYQGVLSQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.05
Rot. Bonds4

About 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide

3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide (PubChem CID 63132301) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
PubChem CID63132301
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCNC1
InChIInChI=1S/C14H21N3O3S/c1-2-14(7-4-8-16-10-14)13(18)17-11-5-3-6-12(9-11)21(15,19)20/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyAZXSHXTYQGVLSQ-UHFFFAOYSA-N
XLogP1.05
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63139750
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
CID 63132083
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
N-[3-(dimethylsulfamoyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 119943618
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
3-methyl-N-[3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 63130562
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide (CID 63132301) is 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide is CCC1(C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCNC1.
What is the InChIKey of 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide?
The InChIKey is AZXSHXTYQGVLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-14(7-4-8-16-10-14)13(18)17-11-5-3-6-12(9-11)21(15,19)20/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide?
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 63132301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).