N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide

C12H25NO3S — CID 55231623

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO3S/c1-10-6-5-7-12(8-10,9-14)13-17(15,16)11(2,3)4/h10,13-14H,5-9H2,1-4H3
InChIKeyTWAINXMTKPSXQL-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.65
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 55231623) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID55231623
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)C(C)(C)C)C1
InChIInChI=1S/C12H25NO3S/c1-10-6-5-7-12(8-10,9-14)13-17(15,16)11(2,3)4/h10,13-14H,5-9H2,1-4H3
InChIKeyTWAINXMTKPSXQL-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide (CID 55231623) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide is CC1CCCC(CO)(NS(=O)(=O)C(C)(C)C)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is TWAINXMTKPSXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10-6-5-7-12(8-10,9-14)13-17(15,16)11(2,3)4/h10,13-14H,5-9H2,1-4H3.
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 263.40 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 55231623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).