2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide

C13H26N2O2S — CID 112746927

IUPAC2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide
SMILESCNC1CCC(NS(=O)(=O)CCC2CCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-14-12-5-7-13(8-6-12)15-18(16,17)10-9-11-3-2-4-11/h11-15H,2-10H2,1H3
InChIKeyHRSUOYFPBRFPJP-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.63
Rot. Bonds6

About 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide

2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide (PubChem CID 112746927) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide
PubChem CID112746927
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide
SMILESCNC1CCC(NS(=O)(=O)CCC2CCC2)CC1
InChIInChI=1S/C13H26N2O2S/c1-14-12-5-7-13(8-6-12)15-18(16,17)10-9-11-3-2-4-11/h11-15H,2-10H2,1H3
InChIKeyHRSUOYFPBRFPJP-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-2-piperidin-4-ylethanesulfonamide
CID 60892687
2-(azetidin-2-yl)-N-cyclobutylethanesulfonamide
CID 115071298
2-(cyclopropylamino)-N-(4-propylcyclohexyl)ethanesulfonamide
CID 106054472
3-hydroxy-N-(4-propylcyclohexyl)propane-1-sulfonamide
CID 114134664
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 68898541
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
2-cyclopentyl-N-propylethanesulfonamide
CID 91196962
N-[(1R,3S)-3-ethylcyclohexyl]-3,3-dimethylbutane-1-sulfonamide
CID 99810517
N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
CID 63290314
2-(azetidin-3-yl)-N-(thian-4-yl)ethanesulfonamide
CID 115049262
N-cyclopropylhexane-1-sulfonamide
CID 67119181
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide
CID 120847871

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide?
The IUPAC name of 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide (CID 112746927) is 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide?
The canonical SMILES for 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide is CNC1CCC(NS(=O)(=O)CCC2CCC2)CC1.
What is the InChIKey of 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide?
The InChIKey is HRSUOYFPBRFPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-14-12-5-7-13(8-6-12)15-18(16,17)10-9-11-3-2-4-11/h11-15H,2-10H2,1H3.
What are the key properties of 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide?
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide has a molecular weight of 274.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-(methylamino)cyclohexyl]ethanesulfonamide is sourced from PubChem (CID 112746927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).