1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane

C7H13F3N2O2S — CID 112684323

IUPAC1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESNS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-2-1-3-6(4-5)12-15(11,13)14/h5-6,12H,1-4H2,(H2,11,13,14)
InChIKeyJMVPCOKELUBNNL-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.90
Rot. Bonds2

About 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane

1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane (PubChem CID 112684323) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane
PubChem CID112684323
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane
SMILESNS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-2-1-3-6(4-5)12-15(11,13)14/h5-6,12H,1-4H2,(H2,11,13,14)
InChIKeyJMVPCOKELUBNNL-UHFFFAOYSA-N
XLogP0.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 132175511
lithium N-[(3,3-difluorocyclohexyl)methyl]sulfamate
CID 156663491
lithium N-[(4,4-difluorocyclohexyl)methyl]sulfamate
CID 156663503
1,1-Difluoro-4-[(sulfamoylamino)methyl]cyclohexane
CID 175947615
1-[(Sulfamoylamino)methyl]-4-(trifluoromethyl)cyclohexane
CID 175947647
N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 53514697
1-(Diethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53524276
1-(Dimethylsulfamoylamino)-3-(trifluoromethyl)cyclohexane
CID 53526125
N-[2-(aminomethyl)cyclohexyl]-1,1,1-trifluoromethanesulfonamide
CID 65851416
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

Frequently Asked Questions

What is the IUPAC name of 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane (CID 112684323) is 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane is NS(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane?
The InChIKey is JMVPCOKELUBNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)5-2-1-3-6(4-5)12-15(11,13)14/h5-6,12H,1-4H2,(H2,11,13,14).
What are the key properties of 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane?
1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane has a molecular weight of 246.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfamoylamino)-3-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 112684323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).