N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide

C11H23NO2S — CID 58431850

IUPACN-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide
SMILESCC(C)(C)[C@H]1CCCC[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14/h9-10,12H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyNPEKXVTWBDQQLV-UWVGGRQHSA-N
MW233.38 g/mol
LogP2.14
Rot. Bonds2

About N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide

N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide (PubChem CID 58431850) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide
PubChem CID58431850
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide
SMILESCC(C)(C)[C@H]1CCCC[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14/h9-10,12H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKeyNPEKXVTWBDQQLV-UWVGGRQHSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-(methanesulfonamido)cyclohexyl]methanesulfonamide
CID 11043842
N-(2-tert-butylcyclohexyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248754
(2-tert-butylcyclohexyl)hydrazine
CID 18070389
N-(2-tert-butylcyclohexyl)formamide
CID 64990782
2-tert-butyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 113261091
5-bromo-N-(2-tert-butylcyclohexyl)-4-chlorothiophene-2-sulfonamide
CID 80578222
N-[(1R,2S)-2-fluorocyclopentyl]methanesulfonamide
CID 130766267
4-[(2-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 43105411
N-(2-tert-butylcyclohexyl)cyclobutanecarboxamide
CID 6466635
N-cycloheptylmethanesulfonamide
CID 3113423
N-(2-tert-butylcyclohexyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 55582577
2-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43079272

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide?
The IUPAC name of N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide (CID 58431850) is N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide is CC(C)(C)[C@H]1CCCC[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide?
The InChIKey is NPEKXVTWBDQQLV-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14/h9-10,12H,5-8H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide?
N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-tert-butylcyclohexyl]methanesulfonamide is sourced from PubChem (CID 58431850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).