N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide

C9H15F3NO3S- — CID 163930822

IUPACN-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide
SMILESO=S(=O)(N([O-])CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3NO3S/c10-9(11,12)17(15,16)13(14)7-6-8-4-2-1-3-5-8/h8H,1-7H2/q-1
InChIKeyFAXGMMOAUAUQAY-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.61
Rot. Bonds4

About N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide

N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide (PubChem CID 163930822) has the molecular formula C9H15F3NO3S- and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide
PubChem CID163930822
Molecular FormulaC9H15F3NO3S-
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC NameN-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide
SMILESO=S(=O)(N([O-])CCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H15F3NO3S/c10-9(11,12)17(15,16)13(14)7-6-8-4-2-1-3-5-8/h8H,1-7H2/q-1
InChIKeyFAXGMMOAUAUQAY-UHFFFAOYSA-N
XLogP2.61
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-(trifluoromethylsulfonyl)ethanamine oxide
CID 163930821
Cyclohexylmethyl(trifluoromethylsulfonyl)azanide
CID 164746445
1-cyclohexyl-N-(trifluoromethylsulfonyl)methanamine oxide
CID 169937486
N-(cyclohexylmethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide
CID 169937487

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide (CID 163930822) is N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide is O=S(=O)(N([O-])CCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide?
The InChIKey is FAXGMMOAUAUQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3NO3S/c10-9(11,12)17(15,16)13(14)7-6-8-4-2-1-3-5-8/h8H,1-7H2/q-1.
What are the key properties of N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide?
N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide has a molecular weight of 274.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1,1,1-trifluoro-N-oxidomethanesulfonamide is sourced from PubChem (CID 163930822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).