N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide

C15H24N2O3S — CID 71785564

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H24N2O3S/c18-15(16-9-8-12-4-2-1-3-5-12)13-10-17(11-13)21(19,20)14-6-7-14/h4,13-14H,1-3,5-11H2,(H,16,18)
InChIKeyPIXNHELKZDOOBG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.42
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide (PubChem CID 71785564) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
PubChem CID71785564
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C15H24N2O3S/c18-15(16-9-8-12-4-2-1-3-5-12)13-10-17(11-13)21(19,20)14-6-7-14/h4,13-14H,1-3,5-11H2,(H,16,18)
InChIKeyPIXNHELKZDOOBG-UHFFFAOYSA-N
XLogP1.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.42
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-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide (CID 71785564) is N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
The InChIKey is PIXNHELKZDOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c18-15(16-9-8-12-4-2-1-3-5-12)13-10-17(11-13)21(19,20)14-6-7-14/h4,13-14H,1-3,5-11H2,(H,16,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-cyclopropylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 71785564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).