N-(4-tert-butylcyclohexyl)ethanesulfonamide

C12H25NO2S — CID 22772449

IUPACN-(4-tert-butylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-5-16(14,15)13-11-8-6-10(7-9-11)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyBNBVXWNJGVVMCI-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.53
Rot. Bonds3

About N-(4-tert-butylcyclohexyl)ethanesulfonamide

N-(4-tert-butylcyclohexyl)ethanesulfonamide (PubChem CID 22772449) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)ethanesulfonamide
PubChem CID22772449
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(4-tert-butylcyclohexyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25NO2S/c1-5-16(14,15)13-11-8-6-10(7-9-11)12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyBNBVXWNJGVVMCI-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)ethanesulfonamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)ethanesulfonamide (CID 22772449) is N-(4-tert-butylcyclohexyl)ethanesulfonamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)ethanesulfonamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)ethanesulfonamide is CCS(=O)(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)ethanesulfonamide?
The InChIKey is BNBVXWNJGVVMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-5-16(14,15)13-11-8-6-10(7-9-11)12(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(4-tert-butylcyclohexyl)ethanesulfonamide?
N-(4-tert-butylcyclohexyl)ethanesulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)ethanesulfonamide is sourced from PubChem (CID 22772449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).