4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide

C13H20N4O3S — CID 79158927

IUPAC4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CC1
InChIInChI=1S/C13H20N4O3S/c1-10-5-7-17(8-6-10)13(18)15-11-3-2-4-12(9-11)16-21(14,19)20/h2-4,9-10,16H,5-8H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyUBTMCKKOHCSHOY-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.57
Rot. Bonds3

About 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide

4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide (PubChem CID 79158927) has the molecular formula C13H20N4O3S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
PubChem CID79158927
Molecular FormulaC13H20N4O3S
Molecular Weight312.39 g/mol
Exact Mass312.13
IUPAC Name4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CC1
InChIInChI=1S/C13H20N4O3S/c1-10-5-7-17(8-6-10)13(18)15-11-3-2-4-12(9-11)16-21(14,19)20/h2-4,9-10,16H,5-8H2,1H3,(H,15,18)(H2,14,19,20)
InChIKeyUBTMCKKOHCSHOY-UHFFFAOYSA-N
XLogP1.57
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999
N-[3-[[3-(4-methylpiperidin-1-yl)-3-oxopropyl]sulfonylamino]phenyl]acetamide
CID 110407310
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79158405
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911651
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
4-methyl-N-[3-[1-(methylamino)ethyl]phenyl]azepane-1-carboxamide
CID 63627419

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide (CID 79158927) is 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide is CC1CCN(C(=O)Nc2cccc(NS(N)(=O)=O)c2)CC1.
What is the InChIKey of 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide?
The InChIKey is UBTMCKKOHCSHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-10-5-7-17(8-6-10)13(18)15-11-3-2-4-12(9-11)16-21(14,19)20/h2-4,9-10,16H,5-8H2,1H3,(H,15,18)(H2,14,19,20).
What are the key properties of 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide?
4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 79158927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).