N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide

C17H30N2O3S — CID 2219100

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2O3S/c1-23(21,22)19(16-10-6-3-7-11-16)14-17(20)18-13-12-15-8-4-2-5-9-15/h8,16H,2-7,9-14H2,1H3,(H,18,20)
InChIKeyQDWOCYKQFPDVOI-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 2219100) has the molecular formula C17H30N2O3S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID2219100
Molecular FormulaC17H30N2O3S
Molecular Weight342.51 g/mol
Exact Mass342.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30N2O3S/c1-23(21,22)19(16-10-6-3-7-11-16)14-17(20)18-13-12-15-8-4-2-5-9-15/h8,16H,2-7,9-14H2,1H3,(H,18,20)
InChIKeyQDWOCYKQFPDVOI-UHFFFAOYSA-N
XLogP2.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.59
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]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 2219100) is N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is QDWOCYKQFPDVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3S/c1-23(21,22)19(16-10-6-3-7-11-16)14-17(20)18-13-12-15-8-4-2-5-9-15/h8,16H,2-7,9-14H2,1H3,(H,18,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 342.51 g/mol, XLogP of 2.59, 7 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]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 2219100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).