5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide

C13H19N3O3S — CID 63103654

IUPAC5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CN1
InChIInChI=1S/C13H19N3O3S/c1-9-7-15-12(8-14-9)13(17)16-10-3-5-11(6-4-10)20(2,18)19/h3-6,9,12,14-15H,7-8H2,1-2H3,(H,16,17)
InChIKeyXRDCURPZKFPBPD-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.02
Rot. Bonds3

About 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide

5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide (PubChem CID 63103654) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide
PubChem CID63103654
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CN1
InChIInChI=1S/C13H19N3O3S/c1-9-7-15-12(8-14-9)13(17)16-10-3-5-11(6-4-10)20(2,18)19/h3-6,9,12,14-15H,7-8H2,1-2H3,(H,16,17)
InChIKeyXRDCURPZKFPBPD-UHFFFAOYSA-N
XLogP-0.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(3-sulfamoylphenyl)piperazine-2-carboxamide
CID 63101675
N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
CID 63102210
N-(1,3-benzodioxol-5-yl)-5-methylpiperazine-2-carboxamide
CID 63103835
N-(3-fluoro-4-methoxyphenyl)-5-methylpiperazine-2-carboxamide
CID 63103656
N-[4-(4-methylsulfonylphenoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119315410
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
(2R,3S)-2-methyl-N-[4-(4-methylsulfonylphenoxy)phenyl]morpholine-3-carboxamide
CID 120930531
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
N-(4-methylsulfonylphenyl)-5-phenyltriazolidine-4-carboxamide
CID 133110114
(2S)-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 61178611

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide (CID 63103654) is 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide is CC1CNC(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CN1.
What is the InChIKey of 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide?
The InChIKey is XRDCURPZKFPBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-7-15-12(8-14-9)13(17)16-10-3-5-11(6-4-10)20(2,18)19/h3-6,9,12,14-15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide?
5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylsulfonylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 63103654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).