3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one

C9H16N2OS — CID 127002211

IUPAC3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one
SMILESCN1CN(CC2CCSC2)CC1=O
InChIInChI=1S/C9H16N2OS/c1-10-7-11(5-9(10)12)4-8-2-3-13-6-8/h8H,2-7H2,1H3
InChIKeyFHNLATOTWMGBJX-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.47
Rot. Bonds2

About 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one

3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one (PubChem CID 127002211) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one
PubChem CID127002211
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one
SMILESCN1CN(CC2CCSC2)CC1=O
InChIInChI=1S/C9H16N2OS/c1-10-7-11(5-9(10)12)4-8-2-3-13-6-8/h8H,2-7H2,1H3
InChIKeyFHNLATOTWMGBJX-UHFFFAOYSA-N
XLogP0.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one (CID 127002211) is 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one is CN1CN(CC2CCSC2)CC1=O.
What is the InChIKey of 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one?
The InChIKey is FHNLATOTWMGBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-10-7-11(5-9(10)12)4-8-2-3-13-6-8/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one?
3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one has a molecular weight of 200.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiolan-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 127002211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).