2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide

C15H27NO3S — CID 56789355

IUPAC2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CS(=O)(=O)C2CCCC2)C(C)C1
InChIInChI=1S/C15H27NO3S/c1-11-7-8-14(12(2)9-11)16-15(17)10-20(18,19)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyOOUCLRMTCWLLRZ-UHFFFAOYSA-N
MW301.45 g/mol
LogP2.28
Rot. Bonds4

About 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide

2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide (PubChem CID 56789355) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide
PubChem CID56789355
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide
SMILESCC1CCC(NC(=O)CS(=O)(=O)C2CCCC2)C(C)C1
InChIInChI=1S/C15H27NO3S/c1-11-7-8-14(12(2)9-11)16-15(17)10-20(18,19)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H,16,17)
InChIKeyOOUCLRMTCWLLRZ-UHFFFAOYSA-N
XLogP2.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide (CID 56789355) is 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide is CC1CCC(NC(=O)CS(=O)(=O)C2CCCC2)C(C)C1.
What is the InChIKey of 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide?
The InChIKey is OOUCLRMTCWLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c1-11-7-8-14(12(2)9-11)16-15(17)10-20(18,19)13-5-3-4-6-13/h11-14H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide?
2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide has a molecular weight of 301.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-(2,4-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 56789355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).