[1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine

C5H8F3NO2S — CID 105454986

IUPAC[1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine
SMILESNCC1(C(F)(F)F)CS(=O)(=O)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4(1-9)2-12(10,11)3-4/h1-3,9H2
InChIKeyCNVIZZONONWWDB-UHFFFAOYSA-N
MW203.18 g/mol
LogP-0.08
Rot. Bonds1

About [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine

[1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine (PubChem CID 105454986) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine
PubChem CID105454986
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name[1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine
SMILESNCC1(C(F)(F)F)CS(=O)(=O)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4(1-9)2-12(10,11)3-4/h1-3,9H2
InChIKeyCNVIZZONONWWDB-UHFFFAOYSA-N
XLogP-0.08
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
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
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
4-Trifluoromethanesulfonylbutan-1-amine
CID 87227626
2,2-Dimethyl-1-(trifluoromethylsulfonyl)propan-1-amine
CID 134335454
3-Difluoromethanesulfonylpropan-1-amine
CID 81186415

Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine?
The IUPAC name of [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine (CID 105454986) is [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine?
The canonical SMILES for [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine is NCC1(C(F)(F)F)CS(=O)(=O)C1.
What is the InChIKey of [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine?
The InChIKey is CNVIZZONONWWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)4(1-9)2-12(10,11)3-4/h1-3,9H2.
What are the key properties of [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine?
[1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine has a molecular weight of 203.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-3-(trifluoromethyl)thietan-3-yl]methanamine is sourced from PubChem (CID 105454986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).