1-(dimethylsulfamoylamino)-3-methylcyclohexane

C9H20N2O2S — CID 3507735

IUPAC1-(dimethylsulfamoylamino)-3-methylcyclohexane
SMILESCC1CCCC(NS(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H20N2O2S/c1-8-5-4-6-9(7-8)10-14(12,13)11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyQFHYWHMSQHCLQS-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.96
Rot. Bonds3

About 1-(dimethylsulfamoylamino)-3-methylcyclohexane

1-(dimethylsulfamoylamino)-3-methylcyclohexane (PubChem CID 3507735) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-methylcyclohexane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-methylcyclohexane
PubChem CID3507735
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name1-(dimethylsulfamoylamino)-3-methylcyclohexane
SMILESCC1CCCC(NS(=O)(=O)N(C)C)C1
InChIInChI=1S/C9H20N2O2S/c1-8-5-4-6-9(7-8)10-14(12,13)11(2)3/h8-10H,4-7H2,1-3H3
InChIKeyQFHYWHMSQHCLQS-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
3-(Dimethylsulfamoylamino)propylcyclohexane
CID 53535321
[(2-Amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
CID 86780419
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
cis-(1R,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173994
trans-(1S,3S)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173995
trans-(1R,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173996
cis-(1S,3R)-1-(diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95173997
cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286792
trans-(1S,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 95286793

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3-methylcyclohexane?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-methylcyclohexane (CID 3507735) is 1-(dimethylsulfamoylamino)-3-methylcyclohexane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-methylcyclohexane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-methylcyclohexane is CC1CCCC(NS(=O)(=O)N(C)C)C1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-methylcyclohexane?
The InChIKey is QFHYWHMSQHCLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8-5-4-6-9(7-8)10-14(12,13)11(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-methylcyclohexane?
1-(dimethylsulfamoylamino)-3-methylcyclohexane has a molecular weight of 220.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-methylcyclohexane is sourced from PubChem (CID 3507735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).