5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

C14H21N3O3S — CID 119486602

IUPAC5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCC(CN)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-5-12(6-13(10(9)2)21(16,19)20)14(18)17-4-3-11(7-15)8-17/h5-6,11H,3-4,7-8,15H2,1-2H3,(H2,16,19,20)
InChIKeyOWODFVXFIMRXKN-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.37
Rot. Bonds3

About 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide

5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (PubChem CID 119486602) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
PubChem CID119486602
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(C(=O)N2CCC(CN)C2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21N3O3S/c1-9-5-12(6-13(10(9)2)21(16,19)20)14(18)17-4-3-11(7-15)8-17/h5-6,11H,3-4,7-8,15H2,1-2H3,(H2,16,19,20)
InChIKeyOWODFVXFIMRXKN-UHFFFAOYSA-N
XLogP0.37
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide 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

5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119412777
5-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119647652
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 119638653
2,3-dimethyl-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47109363
5-[2-(aminomethyl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 119469135
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 86977784
3-fluoro-2-methyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388971
4-(3,4-dimethyl-5-sulfamoylbenzoyl)morpholine-2-carboxylic acid
CID 119239894
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81323048
2,3-dimethyl-5-(3-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372321
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide (CID 119486602) is 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is Cc1cc(C(=O)N2CCC(CN)C2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
The InChIKey is OWODFVXFIMRXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-9-5-12(6-13(10(9)2)21(16,19)20)14(18)17-4-3-11(7-15)8-17/h5-6,11H,3-4,7-8,15H2,1-2H3,(H2,16,19,20).
What are the key properties of 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide?
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 119486602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).