3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide

C12H20F3NO3S — CID 78883745

IUPAC3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H20F3NO3S/c1-2-16(9-12(13,14)15)11(17)7-8-20(18,19)10-5-3-4-6-10/h10H,2-9H2,1H3
InChIKeyKGCFTRNQPSOAFZ-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.14
Rot. Bonds6

About 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide

3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78883745) has the molecular formula C12H20F3NO3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78883745
Molecular FormulaC12H20F3NO3S
Molecular Weight315.36 g/mol
Exact Mass315.11
IUPAC Name3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C12H20F3NO3S/c1-2-16(9-12(13,14)15)11(17)7-8-20(18,19)10-5-3-4-6-10/h10H,2-9H2,1H3
InChIKeyKGCFTRNQPSOAFZ-UHFFFAOYSA-N
XLogP2.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide (CID 78883745) is 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KGCFTRNQPSOAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3S/c1-2-16(9-12(13,14)15)11(17)7-8-20(18,19)10-5-3-4-6-10/h10H,2-9H2,1H3.
What are the key properties of 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide?
3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 315.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78883745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).