N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide

C12H18F3NO3S — CID 71899349

IUPACN-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18F3NO3S/c1-8(9-2-3-9)16(7-12(13,14)15)11(17)10-4-5-20(18,19)6-10/h8-10H,2-7H2,1H3
InChIKeyIAUVJDBPSQEHLM-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.61
Rot. Bonds4

About N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide

N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (PubChem CID 71899349) has the molecular formula C12H18F3NO3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
PubChem CID71899349
Molecular FormulaC12H18F3NO3S
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC NameN-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18F3NO3S/c1-8(9-2-3-9)16(7-12(13,14)15)11(17)10-4-5-20(18,19)6-10/h8-10H,2-7H2,1H3
InChIKeyIAUVJDBPSQEHLM-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide (CID 71899349) is N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
The InChIKey is IAUVJDBPSQEHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3S/c1-8(9-2-3-9)16(7-12(13,14)15)11(17)10-4-5-20(18,19)6-10/h8-10H,2-7H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide?
N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1,1-dioxo-N-(2,2,2-trifluoroethyl)thiolane-3-carboxamide is sourced from PubChem (CID 71899349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).