3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine

C8H14F3NO2S — CID 64555004

IUPAC3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine
SMILESCC1(NCCC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C8H14F3NO2S/c1-7(3-5-15(13,14)6-7)12-4-2-8(9,10)11/h12H,2-6H2,1H3
InChIKeyORDDPMVHOBQJFM-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.11
Rot. Bonds3

About 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine

3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine (PubChem CID 64555004) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine.

Molecular Properties

Compound Name3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine
PubChem CID64555004
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine
SMILESCC1(NCCC(F)(F)F)CCS(=O)(=O)C1
InChIInChI=1S/C8H14F3NO2S/c1-7(3-5-15(13,14)6-7)12-4-2-8(9,10)11/h12H,2-6H2,1H3
InChIKeyORDDPMVHOBQJFM-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-3-(methylamino)thiolane-1,1-dione
CID 3113017
3-Methanesulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
N,3-dimethyltetrahydrothiophen-3-aminium 1,1-dioxide
CID 3848874
N-Ethyl-3-[(3,3,3-trifluoropropyl)sulphonyl]propane-1-amine
CID 86696811
2-methyl-N-[3-(4,4,5,5,5-pentafluoropentylsulfonyl)propyl]propan-2-amine
CID 86696825
N-methyl-3-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]sulfonylpropan-1-amine
CID 86696849
N-propyl-3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine
CID 88547157
N-[3-(3,3,3-trifluoropropylsulfonyl)propyl]butan-2-amine
CID 151107941
3-[(2,2,2-Trifluoroethyl)amino]thiolane-1,1-dione
CID 24700035
3-[(2,2-Difluoroethyl)amino]-1lambda~6~-thiolane-1,1-dione
CID 45158531
1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine
CID 60683351
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61057655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The IUPAC name of 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine (CID 64555004) is 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine.
What is the SMILES notation for 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The canonical SMILES for 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine is CC1(NCCC(F)(F)F)CCS(=O)(=O)C1.
What is the InChIKey of 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The InChIKey is ORDDPMVHOBQJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-7(3-5-15(13,14)6-7)12-4-2-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine?
3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine has a molecular weight of 245.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine is sourced from PubChem (CID 64555004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).