3-(3-methylsulfinylpropyl)-1H-imidazol-2-one

C7H12N2O2S — CID 103126017

IUPAC3-(3-methylsulfinylpropyl)-1H-imidazol-2-one
SMILESCS(=O)CCCn1cc[nH]c1=O
InChIInChI=1S/C7H12N2O2S/c1-12(11)6-2-4-9-5-3-8-7(9)10/h3,5H,2,4,6H2,1H3,(H,8,10)
InChIKeyNSMTXIZBLUJEAF-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.05
Rot. Bonds4

About 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one

3-(3-methylsulfinylpropyl)-1H-imidazol-2-one (PubChem CID 103126017) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-methylsulfinylpropyl)-1H-imidazol-2-one
PubChem CID103126017
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-(3-methylsulfinylpropyl)-1H-imidazol-2-one
SMILESCS(=O)CCCn1cc[nH]c1=O
InChIInChI=1S/C7H12N2O2S/c1-12(11)6-2-4-9-5-3-8-7(9)10/h3,5H,2,4,6H2,1H3,(H,8,10)
InChIKeyNSMTXIZBLUJEAF-UHFFFAOYSA-N
XLogP-0.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one (CID 103126017) is 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one is CS(=O)CCCn1cc[nH]c1=O.
What is the InChIKey of 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one?
The InChIKey is NSMTXIZBLUJEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-12(11)6-2-4-9-5-3-8-7(9)10/h3,5H,2,4,6H2,1H3,(H,8,10).
What are the key properties of 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one?
3-(3-methylsulfinylpropyl)-1H-imidazol-2-one has a molecular weight of 188.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylsulfinylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 103126017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).