N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide

C14H28N2O3S — CID 170011795

IUPACN-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CCC(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(18,19)15(5)11-8-14(3,4)13(17)16-9-6-7-10-16/h12H,6-11H2,1-5H3
InChIKeyIMFPHOJWXFHUPO-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.70
Rot. Bonds6

About N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide

N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide (PubChem CID 170011795) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide
PubChem CID170011795
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)CCC(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C14H28N2O3S/c1-12(2)20(18,19)15(5)11-8-14(3,4)13(17)16-9-6-7-10-16/h12H,6-11H2,1-5H3
InChIKeyIMFPHOJWXFHUPO-UHFFFAOYSA-N
XLogP1.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-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-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide?
The IUPAC name of N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide (CID 170011795) is N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)CCC(C)(C)C(=O)N1CCCC1.
What is the InChIKey of N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide?
The InChIKey is IMFPHOJWXFHUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(2)20(18,19)15(5)11-8-14(3,4)13(17)16-9-6-7-10-16/h12H,6-11H2,1-5H3.
What are the key properties of N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide?
N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-4-oxo-4-pyrrolidin-1-ylbutyl)-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 170011795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).