2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol

C8H13FN2OS2 — CID 153389601

IUPAC2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
SMILESC/N=S(\N)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H13FN2OS2/c1-8(2,12)6-4-5(9)7(13-6)14(10)11-3/h4,12H,1-3H3,(H2,10,11)
InChIKeyVLQACYGQTRKVRT-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.78
Rot. Bonds2

About 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol

2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol (PubChem CID 153389601) has the molecular formula C8H13FN2OS2 and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
PubChem CID153389601
Molecular FormulaC8H13FN2OS2
Molecular Weight236.34 g/mol
Exact Mass236.05
IUPAC Name2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol
SMILESC/N=S(\N)c1sc(C(C)(C)O)cc1F
InChIInChI=1S/C8H13FN2OS2/c1-8(2,12)6-4-5(9)7(13-6)14(10)11-3/h4,12H,1-3H3,(H2,10,11)
InChIKeyVLQACYGQTRKVRT-UHFFFAOYSA-N
XLogP1.78
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol (CID 153389601) is 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol is C/N=S(\N)c1sc(C(C)(C)O)cc1F.
What is the InChIKey of 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
The InChIKey is VLQACYGQTRKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2OS2/c1-8(2,12)6-4-5(9)7(13-6)14(10)11-3/h4,12H,1-3H3,(H2,10,11).
What are the key properties of 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol?
2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(S-amino-N-methylsulfinimidoyl)-4-fluorothiophen-2-yl]propan-2-ol is sourced from PubChem (CID 153389601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).