N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide

C10H22N2O2S — CID 99836720

IUPACN-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide
SMILESCCCN(C)S(=O)(=O)CCN1CCCC1
InChIInChI=1S/C10H22N2O2S/c1-3-6-11(2)15(13,14)10-9-12-7-4-5-8-12/h3-10H2,1-2H3
InChIKeyFLPDUXKOQSEIEJ-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.75
Rot. Bonds6

About N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide

N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide (PubChem CID 99836720) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide
PubChem CID99836720
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide
SMILESCCCN(C)S(=O)(=O)CCN1CCCC1
InChIInChI=1S/C10H22N2O2S/c1-3-6-11(2)15(13,14)10-9-12-7-4-5-8-12/h3-10H2,1-2H3
InChIKeyFLPDUXKOQSEIEJ-UHFFFAOYSA-N
XLogP0.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide 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-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide?
The IUPAC name of N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide (CID 99836720) is N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide.
What is the SMILES notation for N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide?
The canonical SMILES for N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide is CCCN(C)S(=O)(=O)CCN1CCCC1.
What is the InChIKey of N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide?
The InChIKey is FLPDUXKOQSEIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-3-6-11(2)15(13,14)10-9-12-7-4-5-8-12/h3-10H2,1-2H3.
What are the key properties of N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide?
N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide is sourced from PubChem (CID 99836720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).