4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide

C15H22N2O3S — CID 63215148

IUPAC4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1(C)CCCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2)10-3-11-17(15)14(18)9-6-12-4-7-13(8-5-12)21(16,19)20/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,16,19,20)
InChIKeyUJVZPMUZUMGOFD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.67
Rot. Bonds4

About 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide

4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 63215148) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID63215148
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1(C)CCCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-15(2)10-3-11-17(15)14(18)9-6-12-4-7-13(8-5-12)21(16,19)20/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,16,19,20)
InChIKeyUJVZPMUZUMGOFD-UHFFFAOYSA-N
XLogP1.67
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonyl chloride
CID 65397426
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzoic acid
CID 119185565
1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopentane-1-carboxamide
CID 78909729
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 95808703
4-[3-oxo-3-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]propyl]benzenesulfonamide
CID 57477508
1-(azetidin-1-yl)-3-(4-nitrophenyl)propan-1-one
CID 69030579
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
1-(2,2-dimethylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 65460937
2,2-dichloro-1-methyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 46651331
4-(4-sulfamoylphenyl)butanamide
CID 145476026
1-[2-methyl-2-(methylaminomethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 115270676

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 63215148) is 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide is CC1(C)CCCN1C(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is UJVZPMUZUMGOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(2)10-3-11-17(15)14(18)9-6-12-4-7-13(8-5-12)21(16,19)20/h4-5,7-8H,3,6,9-11H2,1-2H3,(H2,16,19,20).
What are the key properties of 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide?
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 63215148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).