3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one

C9H18N2OS — CID 116982231

IUPAC3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCCCC1CN(CCS)C(=O)N1C
InChIInChI=1S/C9H18N2OS/c1-3-4-8-7-11(5-6-13)9(12)10(8)2/h8,13H,3-7H2,1-2H3
InChIKeyYRDWGLBDUVPWHD-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.45
Rot. Bonds4

About 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one

3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one (PubChem CID 116982231) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one
PubChem CID116982231
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one
SMILESCCCC1CN(CCS)C(=O)N1C
InChIInChI=1S/C9H18N2OS/c1-3-4-8-7-11(5-6-13)9(12)10(8)2/h8,13H,3-7H2,1-2H3
InChIKeyYRDWGLBDUVPWHD-UHFFFAOYSA-N
XLogP1.45
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The IUPAC name of 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one (CID 116982231) is 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one.
What is the SMILES notation for 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The canonical SMILES for 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one is CCCC1CN(CCS)C(=O)N1C.
What is the InChIKey of 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one?
The InChIKey is YRDWGLBDUVPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-4-8-7-11(5-6-13)9(12)10(8)2/h8,13H,3-7H2,1-2H3.
What are the key properties of 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one?
3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one has a molecular weight of 202.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propyl-1-(2-sulfanylethyl)imidazolidin-2-one is sourced from PubChem (CID 116982231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).