4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide

C14H21N3O3S — CID 114422610

IUPAC4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H21N3O3S/c1-10-6-7-16-13(8-10)14(18)17-9-11-2-4-12(5-3-11)21(15,19)20/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyZPGWOSOMPIDWLB-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.34
Rot. Bonds4

About 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide

4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 114422610) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
PubChem CID114422610
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
InChIInChI=1S/C14H21N3O3S/c1-10-6-7-16-13(8-10)14(18)17-9-11-2-4-12(5-3-11)21(15,19)20/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyZPGWOSOMPIDWLB-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
3-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide
CID 62339447
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
N-[(2-ethylphenyl)methyl]-4-methylpiperidine-2-carboxamide
CID 114424125
5-oxo-N-[(4-sulfamoylphenyl)methyl]piperazine-2-carboxamide
CID 76890368
2-(4-methylcyclohexylidene)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 75364867
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
4-ethyl-N-[(4-hydroxyphenyl)methyl]piperidine-2-carboxamide
CID 114429606
4-amino-N-[(4-sulfamoylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210828
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide (CID 114422610) is 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide is CC1CCNC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1.
What is the InChIKey of 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is ZPGWOSOMPIDWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-6-7-16-13(8-10)14(18)17-9-11-2-4-12(5-3-11)21(15,19)20/h2-5,10,13,16H,6-9H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide?
4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 114422610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).