cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane

C9H17F3N2O2S — CID 95286792

IUPACcis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESCN(C)S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-14(2)17(15,16)13-8-5-3-4-7(6-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyJHODWXDCCZEFQD-JGVFFNPUSA-N
MW274.31 g/mol
LogP1.50
Rot. Bonds3

About cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane

cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane (PubChem CID 95286792) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Namecis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
PubChem CID95286792
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC Namecis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESCN(C)S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O2S/c1-14(2)17(15,16)13-8-5-3-4-7(6-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyJHODWXDCCZEFQD-JGVFFNPUSA-N
XLogP1.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The IUPAC name of cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane (CID 95286792) is cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane.
What is the SMILES notation for cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The canonical SMILES for cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane is CN(C)S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The InChIKey is JHODWXDCCZEFQD-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-14(2)17(15,16)13-8-5-3-4-7(6-8)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane?
cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane has a molecular weight of 274.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-1-(dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 95286792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).