carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide

C10H10FNO5S — CID 158440505

IUPACcarbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=C=O.O=S1(=O)COCCN1c1cccc(F)c1
InChIInChI=1S/C9H10FNO3S.CO2/c10-8-2-1-3-9(6-8)11-4-5-14-7-15(11,12)13;2-1-3/h1-3,6H,4-5,7H2;
InChIKeyHCTIAUAWSNGBAX-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.37
Rot. Bonds1

About carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide

carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide (PubChem CID 158440505) has the molecular formula C10H10FNO5S and a molecular weight of 275.26 g/mol. Its IUPAC name is carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide.

Molecular Properties

Compound Namecarbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
PubChem CID158440505
Molecular FormulaC10H10FNO5S
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Namecarbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
SMILESO=C=O.O=S1(=O)COCCN1c1cccc(F)c1
InChIInChI=1S/C9H10FNO3S.CO2/c10-8-2-1-3-9(6-8)11-4-5-14-7-15(11,12)13;2-1-3/h1-3,6H,4-5,7H2;
InChIKeyHCTIAUAWSNGBAX-UHFFFAOYSA-N
XLogP0.37
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide
CID 118463237
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-fluorobenzamide
CID 118463080
[4-(3-fluorophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 110869127
4-[[3-(trifluoromethoxy)phenyl]methyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70784652
3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
CID 117009424
[(4R)-2-(3-fluorophenyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97451949
1-(3-fluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79044890
(2S)-4-(3-fluorophenyl)morpholine-2-carboxylic acid
CID 95804351
1-(3-fluorophenyl)pyrazolidin-3-one
CID 70478682
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
The IUPAC name of carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide (CID 158440505) is carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide.
What is the SMILES notation for carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
The canonical SMILES for carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide is O=C=O.O=S1(=O)COCCN1c1cccc(F)c1.
What is the InChIKey of carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
The InChIKey is HCTIAUAWSNGBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3S.CO2/c10-8-2-1-3-9(6-8)11-4-5-14-7-15(11,12)13;2-1-3/h1-3,6H,4-5,7H2;.
What are the key properties of carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide?
carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide has a molecular weight of 275.26 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-(3-fluorophenyl)-1,3,4-oxathiazinane 3,3-dioxide is sourced from PubChem (CID 158440505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).