3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

C10H18F3NO3S — CID 136540112

IUPAC3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CN1CCS(=O)(=O)C(C)(C)C1)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(2)6-14(4-5-18(8,16)17)7-9(3,15)10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyKHRCEHVYFHBANA-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.81
Rot. Bonds2

About 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 136540112) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID136540112
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CN1CCS(=O)(=O)C(C)(C)C1)C(F)(F)F
InChIInChI=1S/C10H18F3NO3S/c1-8(2)6-14(4-5-18(8,16)17)7-9(3,15)10(11,12)13/h15H,4-7H2,1-3H3
InChIKeyKHRCEHVYFHBANA-UHFFFAOYSA-N
XLogP0.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol with MolForge

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Related Compounds

(2R)-3-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 124874587
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-1-one;hydrochloride
CID 119337411
4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one
CID 126769443
1-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120857101
2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 119337416
2,2-dimethyl-4-(3-phenylbutyl)-1,4-thiazinane 1,1-dioxide
CID 86806711
(2S)-2-amino-1-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-methylbutan-1-one
CID 119337436
2-tert-butylsulfonyl-1-(7,7-dimethyl-1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 136537108
(2S)-1,1,1-trifluoro-2-methyl-3-[(4S)-4-pyrrolidin-1-ylazepan-1-yl]propan-2-ol
CID 124732322
2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 97160160
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 115277650
4-(2,2,2-trifluoroethyl)-1,4-thiazinane 1,1-dioxide
CID 122269592

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 136540112) is 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is CC(O)(CN1CCS(=O)(=O)C(C)(C)C1)C(F)(F)F.
What is the InChIKey of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is KHRCEHVYFHBANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-8(2)6-14(4-5-18(8,16)17)7-9(3,15)10(11,12)13/h15H,4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 289.32 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 136540112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).