2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol

C8H14N2O2S2 — CID 162446267

IUPAC2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1cc(C)c(C(C)(C)O)s1
InChIInChI=1S/C8H14N2O2S2/c1-5-4-6(14(9,10)12)13-7(5)8(2,3)11/h4,11H,1-3H3,(H3,9,10,12)
InChIKeyLXOBFIMTSIHITM-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.56
Rot. Bonds2

About 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol

2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol (PubChem CID 162446267) has the molecular formula C8H14N2O2S2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol
PubChem CID162446267
Molecular FormulaC8H14N2O2S2
Molecular Weight234.35 g/mol
Exact Mass234.05
IUPAC Name2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol
SMILES[H]N=S(N)(=O)c1cc(C)c(C(C)(C)O)s1
InChIInChI=1S/C8H14N2O2S2/c1-5-4-6(14(9,10)12)13-7(5)8(2,3)11/h4,11H,1-3H3,(H3,9,10,12)
InChIKeyLXOBFIMTSIHITM-UHFFFAOYSA-N
XLogP1.56
TPSA87.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol (CID 162446267) is 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol is [H]N=S(N)(=O)c1cc(C)c(C(C)(C)O)s1.
What is the InChIKey of 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol?
The InChIKey is LXOBFIMTSIHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S2/c1-5-4-6(14(9,10)12)13-7(5)8(2,3)11/h4,11H,1-3H3,(H3,9,10,12).
What are the key properties of 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol?
2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol has a molecular weight of 234.35 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminosulfonimidoyl)-3-methylthiophen-2-yl]propan-2-ol is sourced from PubChem (CID 162446267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).