2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol

C7H13N3O2S2 — CID 137443215

IUPAC2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCN=S(N)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H13N3O2S2/c1-7(2,11)6-10-4-5(13-6)14(8,12)9-3/h4,11H,1-3H3,(H2,8,9,12)
InChIKeyRQGOJLPUQSORQG-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.70
Rot. Bonds2

About 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol

2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 137443215) has the molecular formula C7H13N3O2S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID137443215
Molecular FormulaC7H13N3O2S2
Molecular Weight235.33 g/mol
Exact Mass235.04
IUPAC Name2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESCN=S(N)(=O)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H13N3O2S2/c1-7(2,11)6-10-4-5(13-6)14(8,12)9-3/h4,11H,1-3H3,(H2,8,9,12)
InChIKeyRQGOJLPUQSORQG-UHFFFAOYSA-N
XLogP0.70
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol (CID 137443215) is 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol is CN=S(N)(=O)c1cnc(C(C)(C)O)s1.
What is the InChIKey of 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is RQGOJLPUQSORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S2/c1-7(2,11)6-10-4-5(13-6)14(8,12)9-3/h4,11H,1-3H3,(H2,8,9,12).
What are the key properties of 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(S-amino-N-methylsulfonimidoyl)-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 137443215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).