3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide

C18H28N2O4S — CID 52517146

IUPAC3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)c1
InChIInChI=1S/C18H28N2O4S/c1-18(2,3)13-15-9-7-11-20(15)17(21)14-8-6-10-16(12-14)25(22,23)19(4)24-5/h6,8,10,12,15H,7,9,11,13H2,1-5H3/t15-/m1/s1
InChIKeyVIPBKGKGQJVPNL-OAHLLOKOSA-N
MW368.50 g/mol
LogP2.91
Rot. Bonds5

About 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide

3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 52517146) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide
PubChem CID52517146
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)c1
InChIInChI=1S/C18H28N2O4S/c1-18(2,3)13-15-9-7-11-20(15)17(21)14-8-6-10-16(12-14)25(22,23)19(4)24-5/h6,8,10,12,15H,7,9,11,13H2,1-5H3/t15-/m1/s1
InChIKeyVIPBKGKGQJVPNL-OAHLLOKOSA-N
XLogP2.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 3-[methoxy(methyl)sulfamoyl]benzoate
CID 11930617
3-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55805326
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 90585599
1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950
1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823949
(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110614017
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
N,N-diethyl-3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43073522
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide (CID 52517146) is 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CC(C)(C)C)c1.
What is the InChIKey of 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is VIPBKGKGQJVPNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-18(2,3)13-15-9-7-11-20(15)17(21)14-8-6-10-16(12-14)25(22,23)19(4)24-5/h6,8,10,12,15H,7,9,11,13H2,1-5H3/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide?
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 52517146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).