3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide

C10H23N3O2S — CID 120777988

IUPAC3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C10H23N3O2S/c1-9(2)12(4)16(14,15)13-6-5-10(3,7-11)8-13/h9H,5-8,11H2,1-4H3
InChIKeyDHUDOBBJYOTYKP-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.24
Rot. Bonds4

About 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide

3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide (PubChem CID 120777988) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
PubChem CID120777988
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCC(C)(CN)C1
InChIInChI=1S/C10H23N3O2S/c1-9(2)12(4)16(14,15)13-6-5-10(3,7-11)8-13/h9H,5-8,11H2,1-4H3
InChIKeyDHUDOBBJYOTYKP-UHFFFAOYSA-N
XLogP0.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-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

3-(aminomethyl)-N,3-dimethyl-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 120777914
3-(aminomethyl)-N-ethyl-N,3-dimethylpyrrolidine-1-sulfonamide
CID 120778042
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-3-methylpyrrolidine-1-sulfonamide;hydrochloride
CID 120778283
3-(aminomethyl)-N-ethyl-3-methylpyrrolidine-1-sulfonamide
CID 120777734
methyl 3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-methylamino]propanoate
CID 120777156
4-(aminomethyl)-4-methylpiperidine-1-sulfonamide
CID 107160182
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
(3-methyl-1-propylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120778075
[3-methyl-1-(2-methylpentylsulfonyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120777439
[1-(2-methoxyethylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine
CID 120777858
1-[4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylmethanamine
CID 120876960
[3-methyl-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778281

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The IUPAC name of 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide (CID 120777988) is 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCC(C)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
The InChIKey is DHUDOBBJYOTYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-9(2)12(4)16(14,15)13-6-5-10(3,7-11)8-13/h9H,5-8,11H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide?
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 120777988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).