3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one

C8H14N2OS — CID 103125664

IUPAC3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one
SMILESCSCC(C)Cn1cc[nH]c1=O
InChIInChI=1S/C8H14N2OS/c1-7(6-12-2)5-10-4-3-9-8(10)11/h3-4,7H,5-6H2,1-2H3,(H,9,11)
InChIKeyYLMIGOVVWCUJOQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.18
Rot. Bonds4

About 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one

3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one (PubChem CID 103125664) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one
PubChem CID103125664
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one
SMILESCSCC(C)Cn1cc[nH]c1=O
InChIInChI=1S/C8H14N2OS/c1-7(6-12-2)5-10-4-3-9-8(10)11/h3-4,7H,5-6H2,1-2H3,(H,9,11)
InChIKeyYLMIGOVVWCUJOQ-UHFFFAOYSA-N
XLogP1.18
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one?
The IUPAC name of 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one (CID 103125664) is 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one is CSCC(C)Cn1cc[nH]c1=O.
What is the InChIKey of 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one?
The InChIKey is YLMIGOVVWCUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7(6-12-2)5-10-4-3-9-8(10)11/h3-4,7H,5-6H2,1-2H3,(H,9,11).
What are the key properties of 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one?
3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 103125664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).