N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide

C20H34N2O3S — CID 113137532

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCC1=CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C20H34N2O3S/c1-26(24,25)22(16-13-19-10-6-3-7-11-19)17-14-20(23)21-15-12-18-8-4-2-5-9-18/h8,10H,2-7,9,11-17H2,1H3,(H,21,23)
InChIKeyBSCIRXVFBDJXMO-UHFFFAOYSA-N
MW382.57 g/mol
LogP3.54
Rot. Bonds10

About N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide (PubChem CID 113137532) has the molecular formula C20H34N2O3S and a molecular weight of 382.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide
PubChem CID113137532
Molecular FormulaC20H34N2O3S
Molecular Weight382.57 g/mol
Exact Mass382.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCC1=CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C20H34N2O3S/c1-26(24,25)22(16-13-19-10-6-3-7-11-19)17-14-20(23)21-15-12-18-8-4-2-5-9-18/h8,10H,2-7,9,11-17H2,1H3,(H,21,23)
InChIKeyBSCIRXVFBDJXMO-UHFFFAOYSA-N
XLogP3.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 53.54
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]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide (CID 113137532) is N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide is CS(=O)(=O)N(CCC(=O)NCCC1=CCCCC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide?
The InChIKey is BSCIRXVFBDJXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3S/c1-26(24,25)22(16-13-19-10-6-3-7-11-19)17-14-20(23)21-15-12-18-8-4-2-5-9-18/h8,10H,2-7,9,11-17H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide has a molecular weight of 382.57 g/mol, XLogP of 3.54, 10 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]-3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113137532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).