N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

C15H25N3O2S — CID 106608147

IUPACN-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O2S/c1-3-18(13-15-10-7-11-16-15)21(19,20)17(2)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3
InChIKeyHLXOCMZBRRNBIY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.44
Rot. Bonds7

About N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106608147) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106608147
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C15H25N3O2S/c1-3-18(13-15-10-7-11-16-15)21(19,20)17(2)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3
InChIKeyHLXOCMZBRRNBIY-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine 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

benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-[benzyl(methyl)sulfamoyl]-N-ethylpiperidin-3-amine
CID 63636927
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
benzyl N-ethyl-N-[[(2R)-pyrrolidin-2-yl]methyl]carbamate
CID 96555664
benzyl N-ethyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 66569368
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-ethyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607953
N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608787
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N-(cyclopropylmethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608711

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106608147) is N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CC1CCCN1)S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is HLXOCMZBRRNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-18(13-15-10-7-11-16-15)21(19,20)17(2)12-14-8-5-4-6-9-14/h4-6,8-9,15-16H,3,7,10-13H2,1-2H3.
What are the key properties of N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 311.45 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106608147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).