N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide

C14H22N2O2S — CID 60640535

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C14H22N2O2S/c1-3-10-19(17,18)15-14-7-6-13(11-12(14)2)16-8-4-5-9-16/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyLTLCREWVTUHGGA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.75
Rot. Bonds5

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide (PubChem CID 60640535) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
PubChem CID60640535
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C14H22N2O2S/c1-3-10-19(17,18)15-14-7-6-13(11-12(14)2)16-8-4-5-9-16/h6-7,11,15H,3-5,8-10H2,1-2H3
InChIKeyLTLCREWVTUHGGA-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)propane-1-sulfonamide
CID 110361846
N-(2,5-dipyrrolidin-1-ylphenyl)butane-1-sulfonamide
CID 110400368
N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110362270
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 78775437
2-methyl-N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43682373
N-[4-(4-acetylpiperazin-1-yl)-2-methylphenyl]methanesulfonamide
CID 21278904
N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 62071393
1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80559606
4-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzenesulfonamide
CID 26966142
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113035669
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide (CID 60640535) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(N2CCCC2)cc1C.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
The InChIKey is LTLCREWVTUHGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-10-19(17,18)15-14-7-6-13(11-12(14)2)16-8-4-5-9-16/h6-7,11,15H,3-5,8-10H2,1-2H3.
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).