2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C12H19F3N2O3S — CID 56805037

IUPAC2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19F3N2O3S/c1-16(8-12(13,14)15)11(18)6-17(9-2-3-9)10-4-5-21(19,20)7-10/h9-10H,2-8H2,1H3
InChIKeyJITUDZKGIBJYEU-UHFFFAOYSA-N
MW328.36 g/mol
LogP0.66
Rot. Bonds5

About 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 56805037) has the molecular formula C12H19F3N2O3S and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID56805037
Molecular FormulaC12H19F3N2O3S
Molecular Weight328.36 g/mol
Exact Mass328.11
IUPAC Name2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN(C1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H19F3N2O3S/c1-16(8-12(13,14)15)11(18)6-17(9-2-3-9)10-4-5-21(19,20)7-10/h9-10H,2-8H2,1H3
InChIKeyJITUDZKGIBJYEU-UHFFFAOYSA-N
XLogP0.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 56805037) is 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN(C1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JITUDZKGIBJYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3S/c1-16(8-12(13,14)15)11(18)6-17(9-2-3-9)10-4-5-21(19,20)7-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 328.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 56805037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).