2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide

C13H23NO3S — CID 71863315

IUPAC2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1=CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H23NO3S/c1-13(2,18(3,16)17)10-14-12(15)9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,14,15)
InChIKeyQFJNMJRJBOUZSV-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.82
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide

2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide (PubChem CID 71863315) has the molecular formula C13H23NO3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
PubChem CID71863315
Molecular FormulaC13H23NO3S
Molecular Weight273.40 g/mol
Exact Mass273.14
IUPAC Name2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1=CCCCC1)S(C)(=O)=O
InChIInChI=1S/C13H23NO3S/c1-13(2,18(3,16)17)10-14-12(15)9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,14,15)
InChIKeyQFJNMJRJBOUZSV-UHFFFAOYSA-N
XLogP1.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.82
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

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Methyl 2-(octadec-9-enoylamino)ethanesulfonate
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methyl 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfonate
CID 87221269
sodium 1-[[(Z)-octadec-9-enoyl]amino]propane-2-sulfonate
CID 88519090
sodium 2-[[(Z)-nonadec-9-enoyl]amino]ethanesulfonate
CID 132006093
3-[[(E)-docos-13-enoyl]amino]propyl-dimethyl-(3-methylsulfonylpropyl)azanium
CID 132176895
sodium 2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]ethanesulfinate
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sodium 2-[[(Z)-octadec-9-enoyl]amino]ethanesulfinate
CID 139813915

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide (CID 71863315) is 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide is CC(C)(CNC(=O)CC1=CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide?
The InChIKey is QFJNMJRJBOUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3S/c1-13(2,18(3,16)17)10-14-12(15)9-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,14,15).
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide?
2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide has a molecular weight of 273.40 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-methyl-2-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 71863315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).