N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide

C9H18N2O2S — CID 79672907

IUPACN-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC1CCCCN1
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-8-9-5-3-4-6-10-9/h2,9-11H,1,3-8H2
InChIKeyCEVBSPWJXOZTSX-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.23
Rot. Bonds5

About N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide

N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide (PubChem CID 79672907) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide
PubChem CID79672907
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCC1CCCCN1
InChIInChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-8-9-5-3-4-6-10-9/h2,9-11H,1,3-8H2
InChIKeyCEVBSPWJXOZTSX-UHFFFAOYSA-N
XLogP0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.23
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-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide (CID 79672907) is N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCC1CCCCN1.
What is the InChIKey of N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
The InChIKey is CEVBSPWJXOZTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-7-14(12,13)11-8-9-5-3-4-6-10-9/h2,9-11H,1,3-8H2.
What are the key properties of N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide?
N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 79672907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).