tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate

C10H19NO5S — CID 23521548

IUPACtert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCS(=O)(=O)C(CO)C1
InChIInChI=1S/C10H19NO5S/c1-10(2,3)16-9(13)11-4-5-17(14,15)8(6-11)7-12/h8,12H,4-7H2,1-3H3
InChIKeyXNHSBQOBPOGGFW-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.01
Rot. Bonds1

About tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate

tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate (PubChem CID 23521548) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
PubChem CID23521548
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Nametert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCS(=O)(=O)C(CO)C1
InChIInChI=1S/C10H19NO5S/c1-10(2,3)16-9(13)11-4-5-17(14,15)8(6-11)7-12/h8,12H,4-7H2,1-3H3
InChIKeyXNHSBQOBPOGGFW-UHFFFAOYSA-N
XLogP0.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(aminomethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 84807420
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458
tert-butyl (3R)-3-hydroperoxypyrrolidine-1-carboxylate
CID 146427923
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 1,1-dioxo-7-(trifluoromethyl)-1,4-thiazepane-4-carboxylate
CID 172893868
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
tert-butyl 3-[2-(hydroxymethyl)cyclopropyl]azetidine-1-carboxylate
CID 130138495
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 1,1-dioxo-2-(1,3-thiazol-2-yl)-1,4-thiazinane-4-carboxylate
CID 155368811

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
The IUPAC name of tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate (CID 23521548) is tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
The canonical SMILES for tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate is CC(C)(C)OC(=O)N1CCS(=O)(=O)C(CO)C1.
What is the InChIKey of tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
The InChIKey is XNHSBQOBPOGGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-10(2,3)16-9(13)11-4-5-17(14,15)8(6-11)7-12/h8,12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate?
tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(hydroxymethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate is sourced from PubChem (CID 23521548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).