N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide

C9H18N2O2S — CID 79673805

IUPACN-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-6-4-9-3-5-10-8-9/h2,9-11H,1,3-8H2
InChIKeyPMNUAXGUZMBPJC-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.09
Rot. Bonds6

About N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide

N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide (PubChem CID 79673805) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide
PubChem CID79673805
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCC1CCNC1
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-6-4-9-3-5-10-8-9/h2,9-11H,1,3-8H2
InChIKeyPMNUAXGUZMBPJC-UHFFFAOYSA-N
XLogP0.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide (CID 79673805) is N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCCC1CCNC1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide?
The InChIKey is PMNUAXGUZMBPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-6-4-9-3-5-10-8-9/h2,9-11H,1,3-8H2.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide?
N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).