N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride

C8H16ClNO2S — CID 61437156

IUPACN-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride
SMILESCC1CCC(N(C)S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-7-3-5-8(6-4-7)10(2)13(9,11)12/h7-8H,3-6H2,1-2H3
InChIKeyNFHRQEKRQXVKSI-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.98
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride

N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride (PubChem CID 61437156) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride
PubChem CID61437156
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride
SMILESCC1CCC(N(C)S(=O)(=O)Cl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-7-3-5-8(6-4-7)10(2)13(9,11)12/h7-8H,3-6H2,1-2H3
InChIKeyNFHRQEKRQXVKSI-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride (CID 61437156) is N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride is CC1CCC(N(C)S(=O)(=O)Cl)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride?
The InChIKey is NFHRQEKRQXVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-7-3-5-8(6-4-7)10(2)13(9,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride?
N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride has a molecular weight of 225.74 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)sulfamoyl chloride is sourced from PubChem (CID 61437156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).