9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate

C19H19NO4S — CID 58283098

IUPAC9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H19NO4S/c21-19(20-9-11-25(22,23)12-10-20)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2
InChIKeyQJVGRWGBGKXIIJ-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.67
Rot. Bonds2

About 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate

9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate (PubChem CID 58283098) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
PubChem CID58283098
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCS(=O)(=O)CC1
InChIInChI=1S/C19H19NO4S/c21-19(20-9-11-25(22,23)12-10-20)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2
InChIKeyQJVGRWGBGKXIIJ-UHFFFAOYSA-N
XLogP2.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 59751608
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9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
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2-(9H-fluoren-9-ylmethoxycarbonyl)-8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decane-4-carboxylic acid
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4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
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9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate (CID 58283098) is 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCS(=O)(=O)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate?
The InChIKey is QJVGRWGBGKXIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c21-19(20-9-11-25(22,23)12-10-20)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2.
What are the key properties of 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate?
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate is sourced from PubChem (CID 58283098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).