N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide

C11H20N2O2S — CID 174644154

IUPACN-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N2O2S/c1-2-9-16(14,15)12-10-5-7-13(8-6-10)11-3-4-11/h2,10-12H,1,3-9H2
InChIKeyVADSWFLBOWDJHI-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.72
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide

N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide (PubChem CID 174644154) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide
PubChem CID174644154
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C11H20N2O2S/c1-2-9-16(14,15)12-10-5-7-13(8-6-10)11-3-4-11/h2,10-12H,1,3-9H2
InChIKeyVADSWFLBOWDJHI-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
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-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide (CID 174644154) is N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide?
The InChIKey is VADSWFLBOWDJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-9-16(14,15)12-10-5-7-13(8-6-10)11-3-4-11/h2,10-12H,1,3-9H2.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide?
N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide has a molecular weight of 244.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 174644154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).