tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate

C15H28N2O4S — CID 129023836

IUPACtert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN2CCS(=O)CC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-14(2,3)21-13(18)17-6-4-15(19,5-7-17)12-16-8-10-22(20)11-9-16/h19H,4-12H2,1-3H3
InChIKeyJXZADQYUBPMOSK-UHFFFAOYSA-N
MW332.47 g/mol
LogP0.81
Rot. Bonds2

About tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate (PubChem CID 129023836) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate
PubChem CID129023836
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Nametert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN2CCS(=O)CC2)CC1
InChIInChI=1S/C15H28N2O4S/c1-14(2,3)21-13(18)17-6-4-15(19,5-7-17)12-16-8-10-22(20)11-9-16/h19H,4-12H2,1-3H3
InChIKeyJXZADQYUBPMOSK-UHFFFAOYSA-N
XLogP0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
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tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
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tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate (CID 129023836) is tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CN2CCS(=O)CC2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate?
The InChIKey is JXZADQYUBPMOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S/c1-14(2,3)21-13(18)17-6-4-15(19,5-7-17)12-16-8-10-22(20)11-9-16/h19H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate has a molecular weight of 332.47 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 129023836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).