methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate

C11H16N2O5S2 — CID 168792530

IUPACmethyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(S(C)(=O)=NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H16N2O5S2/c1-11(2,3)18-10(15)13-20(5,16)7-6-12-8(19-7)9(14)17-4/h6H,1-5H3
InChIKeyMQUDSKIEHQFIJC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.32
Rot. Bonds2

About methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate

methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate (PubChem CID 168792530) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate
PubChem CID168792530
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Namemethyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate
SMILESCOC(=O)c1ncc(S(C)(=O)=NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C11H16N2O5S2/c1-11(2,3)18-10(15)13-20(5,16)7-6-12-8(19-7)9(14)17-4/h6H,1-5H3
InChIKeyMQUDSKIEHQFIJC-UHFFFAOYSA-N
XLogP2.32
TPSA94.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate with MolForge

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Related Compounds

Methyl 5-(chlorosulfonyl)thiazole-2-carboxylate
CID 168898841
Methyl 5-(2-methoxy-2-oxoethyl)sulfanyl-1,3-thiazole-2-carboxylate
CID 57276937
tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
CID 137443564
tert-butyl N-[amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate
CID 137453241
tert-butyl N-[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate
CID 137453243
tert-butyl N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate
CID 142522428
tert-butyl N-[amino-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate;ethane
CID 142522798
[Amino-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamic acid
CID 146450712
[Chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamic acid
CID 146450734
tert-butyl N-[chloro-[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate
CID 146450742
CID 153588229
CID 153588229
tert-butyl N-[chloro-[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]-oxo-lambda6-sulfanylidene]carbamate;ethane
CID 153590398

Frequently Asked Questions

What is the IUPAC name of methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate (CID 168792530) is methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate is COC(=O)c1ncc(S(C)(=O)=NC(=O)OC(C)(C)C)s1.
What is the InChIKey of methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is MQUDSKIEHQFIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-11(2,3)18-10(15)13-20(5,16)7-6-12-8(19-7)9(14)17-4/h6H,1-5H3.
What are the key properties of methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate?
methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[S-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfonimidoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 168792530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).