N-(4-ethylcyclohexyl)butane-1-sulfonamide

C12H25NO2S — CID 22772401

IUPACN-(4-ethylcyclohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(CC)CC1
InChIInChI=1S/C12H25NO2S/c1-3-5-10-16(14,15)13-12-8-6-11(4-2)7-9-12/h11-13H,3-10H2,1-2H3
InChIKeyLRYBRKWFOWUNEF-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.67
Rot. Bonds6

About N-(4-ethylcyclohexyl)butane-1-sulfonamide

N-(4-ethylcyclohexyl)butane-1-sulfonamide (PubChem CID 22772401) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)butane-1-sulfonamide
PubChem CID22772401
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-(4-ethylcyclohexyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCC(CC)CC1
InChIInChI=1S/C12H25NO2S/c1-3-5-10-16(14,15)13-12-8-6-11(4-2)7-9-12/h11-13H,3-10H2,1-2H3
InChIKeyLRYBRKWFOWUNEF-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-(3-Aminocyclohexyl)propane-1-sulfonic acid
CID 20365848
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
Cyclohexyl-3-amino-1-propanesulfonic acid
CID 54166191
1,1-dioxo-N-(4-propylcyclohexyl)thiane-4-sulfonamide
CID 53619660
N-(cyclohexylmethyl)cyclohexanesulfonamide
CID 72138709
1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)butane-1-sulfonamide?
The IUPAC name of N-(4-ethylcyclohexyl)butane-1-sulfonamide (CID 22772401) is N-(4-ethylcyclohexyl)butane-1-sulfonamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)butane-1-sulfonamide?
The canonical SMILES for N-(4-ethylcyclohexyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCC(CC)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)butane-1-sulfonamide?
The InChIKey is LRYBRKWFOWUNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-3-5-10-16(14,15)13-12-8-6-11(4-2)7-9-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(4-ethylcyclohexyl)butane-1-sulfonamide?
N-(4-ethylcyclohexyl)butane-1-sulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)butane-1-sulfonamide is sourced from PubChem (CID 22772401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).