4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide

C17H21N3O4S — CID 97140629

IUPAC4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N)C2)cc1
InChIInChI=1S/C17H21N3O4S/c1-19(10-13-7-9-24-12-13)25(22,23)16-4-2-14(3-5-16)17(21)20-8-6-15(18)11-20/h2-5,7,9,12,15H,6,8,10-11,18H2,1H3/t15-/m0/s1
InChIKeyZRLVMDQKCRDCRV-HNNXBMFYSA-N
MW363.44 g/mol
LogP1.27
Rot. Bonds5

About 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide

4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide (PubChem CID 97140629) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
PubChem CID97140629
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N)C2)cc1
InChIInChI=1S/C17H21N3O4S/c1-19(10-13-7-9-24-12-13)25(22,23)16-4-2-14(3-5-16)17(21)20-8-6-15(18)11-20/h2-5,7,9,12,15H,6,8,10-11,18H2,1H3/t15-/m0/s1
InChIKeyZRLVMDQKCRDCRV-HNNXBMFYSA-N
XLogP1.27
TPSA96.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-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

4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 119411111
[(3S)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 124574517
4-acetyl-N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-N-methylbenzenesulfonamide
CID 119412223
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
N-[[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]methyl]-N,2-dimethylpropanamide
CID 119411289
4-(3-aminopiperidine-1-carbonyl)-N,N-dipropylbenzenesulfonamide;hydrochloride
CID 119377266
4-(4-aminopiperidine-1-carbonyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 119375160
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119411623
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
4-[furan-3-ylmethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61422202
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide (CID 97140629) is 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide is CN(Cc1ccoc1)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N)C2)cc1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is ZRLVMDQKCRDCRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-19(10-13-7-9-24-12-13)25(22,23)16-4-2-14(3-5-16)17(21)20-8-6-15(18)11-20/h2-5,7,9,12,15H,6,8,10-11,18H2,1H3/t15-/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide?
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidine-1-carbonyl]-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 97140629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).