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

C12H20F3NO2S — CID 128580124

IUPACN,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide
SMILESCN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)C1(C)CC1
InChIInChI=1S/C12H20F3NO2S/c1-11(7-8-11)19(17,18)16(2)10-6-4-3-5-9(10)12(13,14)15/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyFBQWZBNAUOGPRV-ZJUUUORDSA-N
MW299.36 g/mol
LogP2.92
Rot. Bonds3

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

N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide (PubChem CID 128580124) has the molecular formula C12H20F3NO2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide
PubChem CID128580124
Molecular FormulaC12H20F3NO2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC NameN,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide
SMILESCN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)C1(C)CC1
InChIInChI=1S/C12H20F3NO2S/c1-11(7-8-11)19(17,18)16(2)10-6-4-3-5-9(10)12(13,14)15/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyFBQWZBNAUOGPRV-ZJUUUORDSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
The IUPAC name of N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide (CID 128580124) is N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide.
What is the SMILES notation for N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
The canonical SMILES for N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide is CN([C@H]1CCCC[C@H]1C(F)(F)F)S(=O)(=O)C1(C)CC1.
What is the InChIKey of N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
The InChIKey is FBQWZBNAUOGPRV-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H20F3NO2S/c1-11(7-8-11)19(17,18)16(2)10-6-4-3-5-9(10)12(13,14)15/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide?
N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]cyclopropane-1-sulfonamide is sourced from PubChem (CID 128580124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).