1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

C11H23NO3S — CID 64723973

IUPAC1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23NO3S/c1-11(2,13)9-12-16(14,15)8-10-6-4-3-5-7-10/h10,12-13H,3-9H2,1-2H3
InChIKeyVAHKHQHYBQWMJH-UHFFFAOYSA-N
MW249.38 g/mol
LogP1.26
Rot. Bonds5

About 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide

1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (PubChem CID 64723973) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
PubChem CID64723973
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C11H23NO3S/c1-11(2,13)9-12-16(14,15)8-10-6-4-3-5-7-10/h10,12-13H,3-9H2,1-2H3
InChIKeyVAHKHQHYBQWMJH-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide (CID 64723973) is 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is CC(C)(O)CNS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
The InChIKey is VAHKHQHYBQWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,13)9-12-16(14,15)8-10-6-4-3-5-7-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide?
1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2-hydroxy-2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 64723973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).