3-(thian-2-ylmethyl)imidazolidin-4-one

C9H16N2OS — CID 83270608

IUPAC3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESO=C1CNCN1CC1CCCCS1
InChIInChI=1S/C9H16N2OS/c12-9-5-10-7-11(9)6-8-3-1-2-4-13-8/h8,10H,1-7H2
InChIKeyLORJVLDRNOHSGP-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.66
Rot. Bonds2

About 3-(thian-2-ylmethyl)imidazolidin-4-one

3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83270608) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83270608
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESO=C1CNCN1CC1CCCCS1
InChIInChI=1S/C9H16N2OS/c12-9-5-10-7-11(9)6-8-3-1-2-4-13-8/h8,10H,1-7H2
InChIKeyLORJVLDRNOHSGP-UHFFFAOYSA-N
XLogP0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(thiolan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80587098
3-(thian-2-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270360
2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271322
2-(thian-2-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 80611986
1-(thian-2-ylmethyl)pyrrole-2,5-dione
CID 80599937
2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271159
3-cyclohexyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586867
3-cyclopropyl-3-methyl-1-(thian-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 80612068
3-(methylamino)-1-(thiolan-2-ylmethyl)pyrrolidin-2-one
CID 80585255
3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80612398
5-methyl-2-(4-methylphenyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266966
3-(methylamino)-7-methylidene-1-(thian-2-ylmethyl)azepan-2-one
CID 89268168

Frequently Asked Questions

What is the IUPAC name of 3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83270608) is 3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 3-(thian-2-ylmethyl)imidazolidin-4-one is O=C1CNCN1CC1CCCCS1.
What is the InChIKey of 3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is LORJVLDRNOHSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9-5-10-7-11(9)6-8-3-1-2-4-13-8/h8,10H,1-7H2.
What are the key properties of 3-(thian-2-ylmethyl)imidazolidin-4-one?
3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 200.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83270608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).