cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide

C13H22F3NO2S — CID 167860780

IUPACcis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide
SMILESC[C@@H]1C[C@@]1(C)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H22F3NO2S/c1-9-8-12(9,2)20(18,19)17(3)11-7-5-4-6-10(11)13(14,15)16/h9-11H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
InChIKeyMDXBVMMYKAXNJQ-WRWGMCAJSA-N
MW313.39 g/mol
LogP3.17
Rot. Bonds3

About cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide

cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide (PubChem CID 167860780) has the molecular formula C13H22F3NO2S and a molecular weight of 313.39 g/mol. Its IUPAC name is cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide
PubChem CID167860780
Molecular FormulaC13H22F3NO2S
Molecular Weight313.39 g/mol
Exact Mass313.13
IUPAC Namecis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide
SMILESC[C@@H]1C[C@@]1(C)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C13H22F3NO2S/c1-9-8-12(9,2)20(18,19)17(3)11-7-5-4-6-10(11)13(14,15)16/h9-11H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1
InChIKeyMDXBVMMYKAXNJQ-WRWGMCAJSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
The IUPAC name of cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide (CID 167860780) is cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
The canonical SMILES for cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide is C[C@@H]1C[C@@]1(C)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
The InChIKey is MDXBVMMYKAXNJQ-WRWGMCAJSA-N. The full InChI is InChI=1S/C13H22F3NO2S/c1-9-8-12(9,2)20(18,19)17(3)11-7-5-4-6-10(11)13(14,15)16/h9-11H,4-8H2,1-3H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide has a molecular weight of 313.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N,1,2-trimethyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 167860780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).