N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide

C13H24N2O3S — CID 113053095

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)CCC1=CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-12(16)15(11-9-14-19(2,17)18)10-8-13-6-4-3-5-7-13/h6,14H,3-5,7-11H2,1-2H3
InChIKeyOSDBLHPSEOMEGI-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.27
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 113053095) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID113053095
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)CCC1=CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-12(16)15(11-9-14-19(2,17)18)10-8-13-6-4-3-5-7-13/h6,14H,3-5,7-11H2,1-2H3
InChIKeyOSDBLHPSEOMEGI-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 2219100
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CID 71785466
N-[(3S)-1-[2-(cyclohexen-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 97561231
N-[2-(cyclohexen-1-yl)ethyl]-3-piperazin-1-ylsulfonylpropanamide
CID 24253567
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128512
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464358
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 37845165
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 40099392
N-[2-(cyclohexen-1-yl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 45800267
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 60508461
N-[1-[2-(cyclohexen-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 72011436
2-(cyclohexen-1-yl)-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]acetamide
CID 75369982

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide (CID 113053095) is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide is CC(=O)N(CCNS(C)(=O)=O)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is OSDBLHPSEOMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-12(16)15(11-9-14-19(2,17)18)10-8-13-6-4-3-5-7-13/h6,14H,3-5,7-11H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 288.41 g/mol, XLogP of 1.27, 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]-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 113053095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).