N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride

C9H18ClNO2S — CID 130596221

IUPACN-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride
SMILESCC1(C)CCC(CNS(=O)(=O)Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-9(2)5-3-8(4-6-9)7-11-14(10,12)13/h8,11H,3-7H2,1-2H3
InChIKeyRDUYRKYNSLAZCU-UHFFFAOYSA-N
MW239.77 g/mol
LogP2.28
Rot. Bonds3

About N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride

N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride (PubChem CID 130596221) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride
PubChem CID130596221
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride
SMILESCC1(C)CCC(CNS(=O)(=O)Cl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-9(2)5-3-8(4-6-9)7-11-14(10,12)13/h8,11H,3-7H2,1-2H3
InChIKeyRDUYRKYNSLAZCU-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dimethyl-4-[(sulfamoylamino)methyl]cyclohexane
CID 127671510
N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
(4,4-dimethylcyclohexyl)methanesulfonic acid
CID 131183489
2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
CID 114342697
N-[(4,4-dimethylcyclohexyl)methyl]prop-2-yn-1-amine
CID 130164900
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
N-[(4-chlorocyclohexyl)methyl]-2,2-dimethylpropane-1-sulfonamide
CID 106136264
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313
N-[(3,3-dimethylcyclopentyl)methyl]ethanamine
CID 80705004
N-[(4-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 162624935
3-(4,4-dimethylcyclohexyl)propanoic acid
CID 161463484
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride (CID 130596221) is N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride is CC1(C)CCC(CNS(=O)(=O)Cl)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride?
The InChIKey is RDUYRKYNSLAZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-9(2)5-3-8(4-6-9)7-11-14(10,12)13/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride?
N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride has a molecular weight of 239.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)methyl]sulfamoyl chloride is sourced from PubChem (CID 130596221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).