N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide

C13H19N3O3S — CID 119328480

IUPACN-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)15-9-10-4-6-11(7-5-10)16-13(17)12-3-2-8-14-12/h4-7,12,14-15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyAGQYTPMRTRGNAE-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.43
Rot. Bonds5

About N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide

N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119328480) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119328480
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)NCc1ccc(NC(=O)C2CCCN2)cc1
InChIInChI=1S/C13H19N3O3S/c1-20(18,19)15-9-10-4-6-11(7-5-10)16-13(17)12-3-2-8-14-12/h4-7,12,14-15H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyAGQYTPMRTRGNAE-UHFFFAOYSA-N
XLogP0.43
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide
CID 60946168
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(ethylsulfonylamino)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119282547
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055
N-[4-(2-methylsulfanylethyl)phenyl]pyrrolidine-2-carboxamide
CID 119315477

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide (CID 119328480) is N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide is CS(=O)(=O)NCc1ccc(NC(=O)C2CCCN2)cc1.
What is the InChIKey of N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is AGQYTPMRTRGNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-20(18,19)15-9-10-4-6-11(7-5-10)16-13(17)12-3-2-8-14-12/h4-7,12,14-15H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119328480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).