9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate

C18H17NO5S — CID 89034992

IUPAC9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCCOS1(=O)=O
InChIInChI=1S/C18H17NO5S/c20-18(19-10-5-11-24-25(19,21)22)23-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2
InChIKeyCXYPKORBMBGBOY-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.90
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate

9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate (PubChem CID 89034992) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate
PubChem CID89034992
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCCOS1(=O)=O
InChIInChI=1S/C18H17NO5S/c20-18(19-10-5-11-24-25(19,21)22)23-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2
InChIKeyCXYPKORBMBGBOY-UHFFFAOYSA-N
XLogP2.90
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
2-[7-(9H-fluoren-9-ylmethoxycarbonyl)-7-azabicyclo[2.2.1]heptan-1-yl]acetic acid
CID 165478738
9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid
CID 154577043
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,2-oxazolidine-5-carboxylic acid
CID 136576217
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]benzoic acid
CID 154856826
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
4-O-tert-butyl 3-O-(9H-fluoren-9-ylmethyl) (4S)-2,2-dioxooxathiazolidine-3,4-dicarboxylate
CID 162698834
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate (CID 89034992) is 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCCOS1(=O)=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate?
The InChIKey is CXYPKORBMBGBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c20-18(19-10-5-11-24-25(19,21)22)23-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate?
9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate has a molecular weight of 359.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2,2-dioxooxathiazinane-3-carboxylate is sourced from PubChem (CID 89034992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).