N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide

C12H24ClNO2S — CID 65032524

IUPACN-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1(CCl)CCC(C)CC1
InChIInChI=1S/C12H24ClNO2S/c1-10(2)8-17(15,16)14-12(9-13)6-4-11(3)5-7-12/h10-11,14H,4-9H2,1-3H3
InChIKeyQANWMUCBUNTVTQ-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide

N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide (PubChem CID 65032524) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide
PubChem CID65032524
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC NameN-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NC1(CCl)CCC(C)CC1
InChIInChI=1S/C12H24ClNO2S/c1-10(2)8-17(15,16)14-12(9-13)6-4-11(3)5-7-12/h10-11,14H,4-9H2,1-3H3
InChIKeyQANWMUCBUNTVTQ-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 65032978
N-[1-(hydroxymethyl)-4-methylcyclohexyl]ethanesulfonamide
CID 62526005
3,4-dichloro-N-[1-(chloromethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 65032421
1-(chloromethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106457696
1-cyclopropyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]methanesulfonamide
CID 64987572
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290240
1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947771
4-methyl-1-(3-methylbutylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63855858
N-[1-(chloromethyl)-4-methylcyclohexyl]cycloheptanecarboxamide
CID 114304280
1-(chloromethyl)-N-(3-fluoropropyl)-4-methylcyclohexan-1-amine
CID 81114643
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-cyclopentylacetamide
CID 114304300

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide (CID 65032524) is N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NC1(CCl)CCC(C)CC1.
What is the InChIKey of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide?
The InChIKey is QANWMUCBUNTVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-10(2)8-17(15,16)14-12(9-13)6-4-11(3)5-7-12/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide?
N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide has a molecular weight of 281.85 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)-4-methylcyclohexyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 65032524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).