2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one

C15H28N2OS — CID 83270758

IUPAC2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC2CCCCS2)C1=O
InChIInChI=1S/C15H28N2OS/c1-4-7-13-15(18)17(14(16-13)11(2)3)10-12-8-5-6-9-19-12/h11-14,16H,4-10H2,1-3H3
InChIKeyUHMZRTQNBXMVMY-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.85
Rot. Bonds5

About 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one

2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83270758) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83270758
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCCCC1NC(C(C)C)N(CC2CCCCS2)C1=O
InChIInChI=1S/C15H28N2OS/c1-4-7-13-15(18)17(14(16-13)11(2)3)10-12-8-5-6-9-19-12/h11-14,16H,4-10H2,1-3H3
InChIKeyUHMZRTQNBXMVMY-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-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 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83270758) is 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one is CCCC1NC(C(C)C)N(CC2CCCCS2)C1=O.
What is the InChIKey of 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is UHMZRTQNBXMVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-4-7-13-15(18)17(14(16-13)11(2)3)10-12-8-5-6-9-19-12/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one?
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 284.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83270758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).