1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one

C10H16F3NO2S — CID 99839693

IUPAC1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one
SMILESCC1(C)C[S@@](=O)CCN1C(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-9(2)7-17(16)6-5-14(9)8(15)3-4-10(11,12)13/h3-7H2,1-2H3/t17-/m0/s1
InChIKeyCCEUIJQFKMNKHM-KRWDZBQOSA-N
MW271.30 g/mol
LogP1.70
Rot. Bonds2

About 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one

1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 99839693) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one
PubChem CID99839693
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one
SMILESCC1(C)C[S@@](=O)CCN1C(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c1-9(2)7-17(16)6-5-14(9)8(15)3-4-10(11,12)13/h3-7H2,1-2H3/t17-/m0/s1
InChIKeyCCEUIJQFKMNKHM-KRWDZBQOSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-Tert-butylsulfanyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 86780939
N-methyl-1,1-dioxo-N-(1,1,1-trifluoropropan-2-yl)thiane-4-carboxamide
CID 167302908
4,4,4-Trifluoro-1-(4-(methylsulfonyl)piperidin-1-yl)butan-1-one
CID 90586500
4,4,4-Trifluoro-1-(4-(isobutylsulfonyl)piperidin-1-yl)butan-1-one
CID 90590160
2,2,3,3,4,4,4-Heptafluoro-1-(4-(isobutylsulfonyl)piperidin-1-yl)butan-1-one
CID 90590166
2,2,2-Trifluoro-1-(4-(isobutylsulfonyl)piperidin-1-yl)ethanone
CID 90590192
2,2,3,3,3-Pentafluoro-1-(4-(isobutylsulfonyl)piperidin-1-yl)propan-1-one
CID 90590227
1-[(1R)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one
CID 99839695
2,2,3,3,3-Pentafluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 108095601
2,2,3,3-Tetrafluoro-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 113251115
1-(3,3-Dimethyl-1-oxo-1,4-thiazinan-4-yl)-4,4,4-trifluorobutan-1-one
CID 119036963
2-Fluoro-2-methyl-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
CID 130165144

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one (CID 99839693) is 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one is CC1(C)C[S@@](=O)CCN1C(=O)CCC(F)(F)F.
What is the InChIKey of 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is CCEUIJQFKMNKHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c1-9(2)7-17(16)6-5-14(9)8(15)3-4-10(11,12)13/h3-7H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one?
1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 271.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 99839693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).