N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide

C9H14F3NO3S2 — CID 75403162

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide
SMILESCCN(C(=O)CSC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H14F3NO3S2/c1-2-13(7-3-4-18(15,16)6-7)8(14)5-17-9(10,11)12/h7H,2-6H2,1H3
InChIKeyAWBSHMSCWQOIAS-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.27
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 75403162) has the molecular formula C9H14F3NO3S2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide
PubChem CID75403162
Molecular FormulaC9H14F3NO3S2
Molecular Weight305.34 g/mol
Exact Mass305.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide
SMILESCCN(C(=O)CSC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H14F3NO3S2/c1-2-13(7-3-4-18(15,16)6-7)8(14)5-17-9(10,11)12/h7H,2-6H2,1H3
InChIKeyAWBSHMSCWQOIAS-UHFFFAOYSA-N
XLogP1.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide (CID 75403162) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide is CCN(C(=O)CSC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is AWBSHMSCWQOIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3S2/c1-2-13(7-3-4-18(15,16)6-7)8(14)5-17-9(10,11)12/h7H,2-6H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 75403162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).