[1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide

C11H20F3NO3S — CID 65010290

IUPAC[1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)8-18-7-10(9-19(15,16)17)5-3-1-2-4-6-10/h1-9H2,(H2,15,16,17)
InChIKeyNPSSAXJHSGSMQU-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.19
Rot. Bonds5

About [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide

[1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide (PubChem CID 65010290) has the molecular formula C11H20F3NO3S and a molecular weight of 303.35 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide
PubChem CID65010290
Molecular FormulaC11H20F3NO3S
Molecular Weight303.35 g/mol
Exact Mass303.11
IUPAC Name[1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO3S/c12-11(13,14)8-18-7-10(9-19(15,16)17)5-3-1-2-4-6-10/h1-9H2,(H2,15,16,17)
InChIKeyNPSSAXJHSGSMQU-UHFFFAOYSA-N
XLogP2.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide?
The IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide (CID 65010290) is [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide.
What is the SMILES notation for [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide?
The canonical SMILES for [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide is NS(=O)(=O)CC1(COCC(F)(F)F)CCCCCC1.
What is the InChIKey of [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide?
The InChIKey is NPSSAXJHSGSMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3S/c12-11(13,14)8-18-7-10(9-19(15,16)17)5-3-1-2-4-6-10/h1-9H2,(H2,15,16,17).
What are the key properties of [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide?
[1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide has a molecular weight of 303.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethoxymethyl)cycloheptyl]methanesulfonamide is sourced from PubChem (CID 65010290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).