1,1-dioxo-2-(trifluoromethyl)thietan-3-amine

C4H6F3NO2S — CID 162787540

IUPAC1,1-dioxo-2-(trifluoromethyl)thietan-3-amine
SMILESNC1CS(=O)(=O)C1C(F)(F)F
InChIInChI=1S/C4H6F3NO2S/c5-4(6,7)3-2(8)1-11(3,9)10/h2-3H,1,8H2
InChIKeyUOXHKZDZJSFJQD-UHFFFAOYSA-N
MW189.16 g/mol
LogP-0.33
Rot. Bonds

About 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine

1,1-dioxo-2-(trifluoromethyl)thietan-3-amine (PubChem CID 162787540) has the molecular formula C4H6F3NO2S and a molecular weight of 189.16 g/mol. Its IUPAC name is 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-2-(trifluoromethyl)thietan-3-amine
PubChem CID162787540
Molecular FormulaC4H6F3NO2S
Molecular Weight189.16 g/mol
Exact Mass189.01
IUPAC Name1,1-dioxo-2-(trifluoromethyl)thietan-3-amine
SMILESNC1CS(=O)(=O)C1C(F)(F)F
InChIInChI=1S/C4H6F3NO2S/c5-4(6,7)3-2(8)1-11(3,9)10/h2-3H,1,8H2
InChIKeyUOXHKZDZJSFJQD-UHFFFAOYSA-N
XLogP-0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
2-(2,2-Difluoroethylsulfonyl)ethanamine
CID 58684575
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666
2-(3,3,3-Trifluoropropylsulfonyl)ethanamine
CID 58684689
3-(3,3,3-Trifluoropropylsulfonyl)propan-1-amine
CID 58685040
2-(2-Aminoethanesulfonyl)-1,1,1-trifluoroethane
CID 58685127
1-(2,2,2-Trifluoroethylsulfonyl)propan-2-amine
CID 81190027
4-(3,3,3-Trifluoropropylsulfonyl)butan-2-amine
CID 81194635
1,1,1-trifluoro-N-(thietan-3-yl)methanesulfonamide
CID 90264767
1,1,1-Trifluoro-4-methanesulfonylbutan-2-amine
CID 90424357

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine?
The IUPAC name of 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine (CID 162787540) is 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine.
What is the SMILES notation for 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine?
The canonical SMILES for 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine is NC1CS(=O)(=O)C1C(F)(F)F.
What is the InChIKey of 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine?
The InChIKey is UOXHKZDZJSFJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2S/c5-4(6,7)3-2(8)1-11(3,9)10/h2-3H,1,8H2.
What are the key properties of 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine?
1,1-dioxo-2-(trifluoromethyl)thietan-3-amine has a molecular weight of 189.16 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-(trifluoromethyl)thietan-3-amine is sourced from PubChem (CID 162787540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).