5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide

C11H17N3O3S2 — CID 124595434

IUPAC5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2CN)c1
InChIInChI=1S/C11H17N3O3S2/c1-13-19(16,17)9-5-10(18-7-9)11(15)14-4-2-3-8(14)6-12/h5,7-8,13H,2-4,6,12H2,1H3/t8-/m1/s1
InChIKeyZOYBBAYPXYHKNO-MRVPVSSYSA-N
MW303.41 g/mol
LogP0.22
Rot. Bonds4

About 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide

5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide (PubChem CID 124595434) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
PubChem CID124595434
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2CN)c1
InChIInChI=1S/C11H17N3O3S2/c1-13-19(16,17)9-5-10(18-7-9)11(15)14-4-2-3-8(14)6-12/h5,7-8,13H,2-4,6,12H2,1H3/t8-/m1/s1
InChIKeyZOYBBAYPXYHKNO-MRVPVSSYSA-N
XLogP0.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide 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

N-methyl-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
CID 119651771
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
5-[(2S,6R)-2,6-dimethylazepane-1-carbonyl]-N-methylthiophene-3-sulfonamide
CID 96527844
N-(2-aminoethyl)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxamide
CID 119482039
(3S)-1-[4-(methylsulfamoyl)thiophene-2-carbonyl]piperidine-3-carboxylic acid
CID 120514157
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 81482957
[2-(aminomethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone;hydrochloride
CID 119631709
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119468592
4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide
CID 119631538
4-[2-(aminomethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119468208
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119633746
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide (CID 124595434) is 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide is CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H]2CN)c1.
What is the InChIKey of 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is ZOYBBAYPXYHKNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-13-19(16,17)9-5-10(18-7-9)11(15)14-4-2-3-8(14)6-12/h5,7-8,13H,2-4,6,12H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide?
5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 303.41 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 124595434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).