tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate

C10H20N2O3S — CID 83488313

IUPACtert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CS(=O)CCN1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-6-8-7-16(14)5-4-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyBGZFXSKYTYCPCP-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.23
Rot. Bonds2

About tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate

tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate (PubChem CID 83488313) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate
PubChem CID83488313
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Nametert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CS(=O)CCN1
InChIInChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-6-8-7-16(14)5-4-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyBGZFXSKYTYCPCP-UHFFFAOYSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperazine-1-carboxylate
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tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate;methyl formate
CID 142104824
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
CID 165444188
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[(2S,4R)-4-(trifluoromethoxy)pyrrolidin-2-yl]methyl]carbamate
CID 175670752
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
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tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate (CID 83488313) is tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CS(=O)CCN1.
What is the InChIKey of tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate?
The InChIKey is BGZFXSKYTYCPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-10(2,3)15-9(13)12-6-8-7-16(14)5-4-11-8/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate?
tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate has a molecular weight of 248.35 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-oxo-1,4-thiazinan-3-yl)methyl]carbamate is sourced from PubChem (CID 83488313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).