N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide

C10H21NO3S — CID 115277390

IUPACN-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCC(O)CC1
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)11(3)9-4-6-10(12)7-5-9/h8-10,12H,4-7H2,1-3H3
InChIKeyBDZXGVILANWUBN-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide

N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide (PubChem CID 115277390) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide
PubChem CID115277390
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)C1CCC(O)CC1
InChIInChI=1S/C10H21NO3S/c1-8(2)15(13,14)11(3)9-4-6-10(12)7-5-9/h8-10,12H,4-7H2,1-3H3
InChIKeyBDZXGVILANWUBN-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-N-methylpropane-2-sulfonamide
CID 61383845
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylpropane-2-sulfonamide
CID 116817251
N-methyl-N-(4-oxocyclohexyl)propane-2-sulfonamide
CID 79120565
N-methyl-N-[1-(2,2,3-trimethylbutanoyl)piperidin-4-yl]propane-2-sulfonamide
CID 69472093
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
4-(dimethylamino)cyclohexan-1-ol;vanadium
CID 176696741
4-[1-cyclopropylethyl(methyl)amino]cyclohexan-1-ol
CID 114762400
4-[iodo(methyl)amino]cyclohexan-1-ol
CID 143163205
4-[cyclobutyl(methyl)amino]cyclohexan-1-ol
CID 114762700
4-[methyl(1H-pyrrol-3-yl)amino]cyclohexan-1-ol
CID 115149437
4-(N,4-dimethylanilino)cyclohexan-1-ol
CID 114762541
N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
CID 166767108

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide (CID 115277390) is N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)C1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide?
The InChIKey is BDZXGVILANWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-8(2)15(13,14)11(3)9-4-6-10(12)7-5-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide?
N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 115277390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).