(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine

C5H8F3NO2S — CID 170914011

IUPAC(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine
SMILESN[C@@H]1C[C@@H](C(F)(F)F)S(=O)(=O)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4-1-3(9)2-12(4,10)11/h3-4H,1-2,9H2/t3-,4+/m1/s1
InChIKeyVPKKKBLOILVINU-DMTCNVIQSA-N
MW203.18 g/mol
LogP0.06
Rot. Bonds

About (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine

(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine (PubChem CID 170914011) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine.

Molecular Properties

Compound Name(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine
PubChem CID170914011
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine
SMILESN[C@@H]1C[C@@H](C(F)(F)F)S(=O)(=O)C1
InChIInChI=1S/C5H8F3NO2S/c6-5(7,8)4-1-3(9)2-12(4,10)11/h3-4H,1-2,9H2/t3-,4+/m1/s1
InChIKeyVPKKKBLOILVINU-DMTCNVIQSA-N
XLogP0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
CID 87341196
trans-(1S,2S)-2-(trifluoromethyl)cyclopropan-1-amine
CID 28901541
cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 27808394
2,5-difluoro-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 67425968
4-(trifluoromethyl)bicyclo[3.1.1]heptan-2-amine
CID 166645673
2,3-dibromo-4-fluorothiolane 1,1-dioxide
CID 15468464
trans-(1R,3R)-3-(trifluoromethyl)cycloheptan-1-amine
CID 97297725
2-fluorocyclopropan-1-amine
CID 10197614
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
trans-(1R,2R)-2-(trifluoromethyl)cyclobutane-1-carboxamide
CID 154876152
2-phenyl-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]acetamide
CID 118962245
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine?
The IUPAC name of (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine (CID 170914011) is (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine.
What is the SMILES notation for (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine?
The canonical SMILES for (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine is N[C@@H]1C[C@@H](C(F)(F)F)S(=O)(=O)C1.
What is the InChIKey of (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine?
The InChIKey is VPKKKBLOILVINU-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c6-5(7,8)4-1-3(9)2-12(4,10)11/h3-4H,1-2,9H2/t3-,4+/m1/s1.
What are the key properties of (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine?
(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine has a molecular weight of 203.18 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine is sourced from PubChem (CID 170914011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).