2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

C9H15F3N2O3S — CID 79805602

IUPAC2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c1-8(13,9(10,11)12)7(15)14-4-6-2-3-18(16,17)5-6/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyDEGRZCBXVAOSNZ-UHFFFAOYSA-N
MW288.29 g/mol
LogP-0.18
Rot. Bonds3

About 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79805602) has the molecular formula C9H15F3N2O3S and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79805602
Molecular FormulaC9H15F3N2O3S
Molecular Weight288.29 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1CCS(=O)(=O)C1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O3S/c1-8(13,9(10,11)12)7(15)14-4-6-2-3-18(16,17)5-6/h6H,2-5,13H2,1H3,(H,14,15)
InChIKeyDEGRZCBXVAOSNZ-UHFFFAOYSA-N
XLogP-0.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79805602) is 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)NCC1CCS(=O)(=O)C1)C(F)(F)F.
What is the InChIKey of 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is DEGRZCBXVAOSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3S/c1-8(13,9(10,11)12)7(15)14-4-6-2-3-18(16,17)5-6/h6H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 288.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79805602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).