tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate

C11H19N3O4S2 — CID 137443495

IUPACtert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate
SMILES[H]N=S(=O)(NC(=O)OC(C)(C)C)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C11H19N3O4S2/c1-10(2,3)18-9(15)14-20(12,17)7-6-13-8(19-7)11(4,5)16/h6,16H,1-5H3,(H2,12,14,15,17)
InChIKeyJPKKVDODMSTAEN-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.22
Rot. Bonds3

About tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate

tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate (PubChem CID 137443495) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate
PubChem CID137443495
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Nametert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate
SMILES[H]N=S(=O)(NC(=O)OC(C)(C)C)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C11H19N3O4S2/c1-10(2,3)18-9(15)14-20(12,17)7-6-13-8(19-7)11(4,5)16/h6,16H,1-5H3,(H2,12,14,15,17)
InChIKeyJPKKVDODMSTAEN-UHFFFAOYSA-N
XLogP2.22
TPSA112.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-Hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 132019998
2-(2-Hydroxypropan-2-yl)thiazole-5-sulfonimidamide
CID 137443194
2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
CID 137443215
2-(2-Hydroxypropan-2-yl)thiazole-5-sulfinamide
CID 137443219
Tert-butyl ((2-(2-hydroxypropan-2-yl)thiazol-5-yl)sulfinyl)carbamate
CID 137443245
[2-(2-Methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinylcarbamic acid
CID 137443308
2-(2-Methoxypropan-2-yl)-1,3-thiazole-5-sulfinamide
CID 137443490
tert-butyl N-[[2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]sulfinyl]carbamate
CID 137443564
2-(2-hydroxypropan-2-yl)-N-methyl-1,3-thiazole-5-sulfonamide
CID 137453211
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-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-(methylamino)-oxo-lambda6-sulfanylidene]carbamate
CID 137453251

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate (CID 137443495) is tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate is [H]N=S(=O)(NC(=O)OC(C)(C)C)c1cnc(C(C)(C)O)s1.
What is the InChIKey of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate?
The InChIKey is JPKKVDODMSTAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-10(2,3)18-9(15)14-20(12,17)7-6-13-8(19-7)11(4,5)16/h6,16H,1-5H3,(H2,12,14,15,17).
What are the key properties of tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate?
tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonimidoyl]carbamate is sourced from PubChem (CID 137443495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).