1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane

C11H21F3N2O2S — CID 167049007

IUPAC1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
SMILESCC(C)N(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O
InChIInChI=1S/C11H21F3N2O2S/c1-8(2)16(19(15,17)18)7-9-3-5-10(6-4-9)11(12,13)14/h8-10H,3-7H2,1-2H3,(H2,15,17,18)
InChIKeyADCIJOXBSCHERQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.27
Rot. Bonds4

About 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane

1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane (PubChem CID 167049007) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
PubChem CID167049007
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Name1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane
SMILESCC(C)N(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O
InChIInChI=1S/C11H21F3N2O2S/c1-8(2)16(19(15,17)18)7-9-3-5-10(6-4-9)11(12,13)14/h8-10H,3-7H2,1-2H3,(H2,15,17,18)
InChIKeyADCIJOXBSCHERQ-UHFFFAOYSA-N
XLogP2.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane (CID 167049007) is 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane is CC(C)N(CC1CCC(C(F)(F)F)CC1)S(N)(=O)=O.
What is the InChIKey of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
The InChIKey is ADCIJOXBSCHERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c1-8(2)16(19(15,17)18)7-9-3-5-10(6-4-9)11(12,13)14/h8-10H,3-7H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane?
1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane has a molecular weight of 302.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propan-2-yl(sulfamoyl)amino]methyl]-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 167049007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).