2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide

C11H23NO2S — CID 142669437

IUPAC2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide
SMILESC[C@@H]1CCCC[C@H]1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-9-7-5-6-8-10(9)12-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyNSEGEIRRHLAEJT-NXEZZACHSA-N
MW233.38 g/mol
LogP2.28
Rot. Bonds2

About 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide

2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide (PubChem CID 142669437) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide
PubChem CID142669437
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide
SMILESC[C@@H]1CCCC[C@H]1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-9-7-5-6-8-10(9)12-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyNSEGEIRRHLAEJT-NXEZZACHSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide (CID 142669437) is 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide is C[C@@H]1CCCC[C@H]1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide?
The InChIKey is NSEGEIRRHLAEJT-NXEZZACHSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9-7-5-6-8-10(9)12-15(13,14)11(2,3)4/h9-10,12H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide?
2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide has a molecular weight of 233.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R,2R)-2-methylcyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 142669437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).