N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide

C14H21N3O3S — CID 119735471

IUPACN-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(2)21(19,20)13-5-3-11(4-6-13)9-16-14(18)12-7-8-15-10-12/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyQAUUMMKSUWVIAN-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.16
Rot. Bonds5

About N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide

N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 119735471) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID119735471
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCNC2)cc1
InChIInChI=1S/C14H21N3O3S/c1-17(2)21(19,20)13-5-3-11(4-6-13)9-16-14(18)12-7-8-15-10-12/h3-6,12,15H,7-10H2,1-2H3,(H,16,18)
InChIKeyQAUUMMKSUWVIAN-UHFFFAOYSA-N
XLogP0.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(ethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119821892
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 119689801
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
(3R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 28562303
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119806005
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 119735471) is N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCNC2)cc1.
What is the InChIKey of N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is QAUUMMKSUWVIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(2)21(19,20)13-5-3-11(4-6-13)9-16-14(18)12-7-8-15-10-12/h3-6,12,15H,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide?
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119735471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).