4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide

C8H15F2NO2S — CID 58799810

IUPAC4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide
SMILESCC(C)CN1CC(F)(F)CCS1(=O)=O
InChIInChI=1S/C8H15F2NO2S/c1-7(2)5-11-6-8(9,10)3-4-14(11,12)13/h7H,3-6H2,1-2H3
InChIKeyYEKPKZHCMJHJOR-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.31
Rot. Bonds2

About 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide

4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide (PubChem CID 58799810) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide
PubChem CID58799810
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide
SMILESCC(C)CN1CC(F)(F)CCS1(=O)=O
InChIInChI=1S/C8H15F2NO2S/c1-7(2)5-11-6-8(9,10)3-4-14(11,12)13/h7H,3-6H2,1-2H3
InChIKeyYEKPKZHCMJHJOR-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-Trifluoroethylsulfonyl)piperidine
CID 140304874
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1-(2,2-Difluoroethylsulfonyl)piperidine
CID 58436043
1-(3,3,4,4-Tetrafluorohexylsulfonyl)piperidine
CID 59623487
4-Methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59862750
4-Propan-2-yl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59921674
1-(1,1,1-Trifluoropropan-2-ylsulfonyl)piperidine
CID 67890570
1-(1,1,1,3,3-Pentafluoropropan-2-ylsulfonyl)piperidine
CID 67890803
4-Methyl-1-(3,3,3-trifluoropropylsulfonyl)piperidine
CID 71114479
1-(3,3,4,4-Tetrafluoropentylsulfonyl)piperidine
CID 87067713
4-Methyl-1-(1,1,2,2-tetrafluoropropylsulfonyl)piperidine
CID 88854828

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide?
The IUPAC name of 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide (CID 58799810) is 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide.
What is the SMILES notation for 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide?
The canonical SMILES for 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide is CC(C)CN1CC(F)(F)CCS1(=O)=O.
What is the InChIKey of 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide?
The InChIKey is YEKPKZHCMJHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-7(2)5-11-6-8(9,10)3-4-14(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide?
4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide has a molecular weight of 227.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide is sourced from PubChem (CID 58799810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).