N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide

C13H27NO2S — CID 22772497

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C13H27NO2S/c1-5-13(3,4)11-7-9-12(10-8-11)14-17(15,16)6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyVBWLPDVWHGKMFG-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.92
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide (PubChem CID 22772497) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
PubChem CID22772497
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)CC)CC1
InChIInChI=1S/C13H27NO2S/c1-5-13(3,4)11-7-9-12(10-8-11)14-17(15,16)6-2/h11-12,14H,5-10H2,1-4H3
InChIKeyVBWLPDVWHGKMFG-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide (CID 22772497) is N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide is CCC(C)(C)C1CCC(NS(=O)(=O)CC)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
The InChIKey is VBWLPDVWHGKMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-13(3,4)11-7-9-12(10-8-11)14-17(15,16)6-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide has a molecular weight of 261.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 22772497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).