N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide

C11H22N2O2S — CID 86801794

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC1CCCN1CC
InChIInChI=1S/C11H22N2O2S/c1-3-5-9-16(14,15)12-10-11-7-6-8-13(11)4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyCDCCYCBHGSMFGP-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.97
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide (PubChem CID 86801794) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide
PubChem CID86801794
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NCC1CCCN1CC
InChIInChI=1S/C11H22N2O2S/c1-3-5-9-16(14,15)12-10-11-7-6-8-13(11)4-2/h3,11-12H,1,4-10H2,2H3
InChIKeyCDCCYCBHGSMFGP-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-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-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide (CID 86801794) is N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NCC1CCCN1CC.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
The InChIKey is CDCCYCBHGSMFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-3-5-9-16(14,15)12-10-11-7-6-8-13(11)4-2/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide has a molecular weight of 246.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 86801794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).