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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Related Compounds

N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 129369369
3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 63042574
4-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 32684915
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]morpholine-4-sulfonamide
CID 95266419
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
N-[(2,2-dimethylcyclopropyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609637
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788

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).