3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one

C8H14N2OS — CID 103125996

IUPAC3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one
SMILESCSCCC(C)n1cc[nH]c1=O
InChIInChI=1S/C8H14N2OS/c1-7(3-6-12-2)10-5-4-9-8(10)11/h4-5,7H,3,6H2,1-2H3,(H,9,11)
InChIKeyQTOJPAUOSPVKFT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.49
Rot. Bonds4

About 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one

3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one (PubChem CID 103125996) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one
PubChem CID103125996
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one
SMILESCSCCC(C)n1cc[nH]c1=O
InChIInChI=1S/C8H14N2OS/c1-7(3-6-12-2)10-5-4-9-8(10)11/h4-5,7H,3,6H2,1-2H3,(H,9,11)
InChIKeyQTOJPAUOSPVKFT-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-Epithiopropyl)imidazol-2-one
CID 129872342
N-tert-butyl-2-propyl-2H-1,3-thiazole-3-carboxamide
CID 140969073
2-ethyl-2H-1,3-thiazole-3-carboxamide
CID 173197161
3-(2-methyl-3-methylsulfanylpropyl)-1H-imidazol-2-one
CID 103125664
3-(2-methylsulfanylethyl)-1H-imidazol-2-one
CID 103125673
3-(3-methylsulfanylpropyl)-1H-imidazol-2-one
CID 103125674
3-(1-methylsulfonylpropan-2-yl)-1H-imidazol-2-one
CID 103125699
3-(2-methylsulfanylpropyl)-1H-imidazol-2-one
CID 103125982
3-(1-methylsulfanylpropan-2-yl)-1H-imidazol-2-one
CID 103125989
3-(2-methyl-2-methylsulfanylpropyl)-1H-imidazol-2-one
CID 103125999
3-(2-methylsulfinylpropyl)-1H-imidazol-2-one
CID 103126010
3-(1-methylsulfinylpropan-2-yl)-1H-imidazol-2-one
CID 103126015

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one (CID 103125996) is 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one is CSCCC(C)n1cc[nH]c1=O.
What is the InChIKey of 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one?
The InChIKey is QTOJPAUOSPVKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-7(3-6-12-2)10-5-4-9-8(10)11/h4-5,7H,3,6H2,1-2H3,(H,9,11).
What are the key properties of 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one?
3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one has a molecular weight of 186.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylbutan-2-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103125996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).