N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide

C11H24N2O2S — CID 58530604

IUPACN-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCC(C)(C)C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)7-10-12(4)16(14,15)13-8-5-6-9-13/h5-10H2,1-4H3
InChIKeyRFIPXAVYZJZCEO-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.70
Rot. Bonds4

About N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide

N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide (PubChem CID 58530604) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide
PubChem CID58530604
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide
SMILESCN(CCC(C)(C)C)S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,3)7-10-12(4)16(14,15)13-8-5-6-9-13/h5-10H2,1-4H3
InChIKeyRFIPXAVYZJZCEO-UHFFFAOYSA-N
XLogP1.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylbutyl)-N-methylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide (CID 58530604) is N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide is CN(CCC(C)(C)C)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is RFIPXAVYZJZCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,3)7-10-12(4)16(14,15)13-8-5-6-9-13/h5-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide?
N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 58530604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).