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

C10H20N2O2S — CID 79673104

IUPACN-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C10H20N2O2S/c1-3-7-15(13,14)12-9(2)10-5-4-6-11-8-10/h3,9-12H,1,4-8H2,2H3
InChIKeyKIDXVXQKXGCGMR-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.48
Rot. Bonds5

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

N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide (PubChem CID 79673104) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide
PubChem CID79673104
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC NameN-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC(C)C1CCCNC1
InChIInChI=1S/C10H20N2O2S/c1-3-7-15(13,14)12-9(2)10-5-4-6-11-8-10/h3,9-12H,1,4-8H2,2H3
InChIKeyKIDXVXQKXGCGMR-UHFFFAOYSA-N
XLogP0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.48
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-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide (CID 79673104) is N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NC(C)C1CCCNC1.
What is the InChIKey of N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide?
The InChIKey is KIDXVXQKXGCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-3-7-15(13,14)12-9(2)10-5-4-6-11-8-10/h3,9-12H,1,4-8H2,2H3.
What are the key properties of N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide?
N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide has a molecular weight of 232.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79673104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).