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

C16H30N2OS — CID 83270997

IUPAC2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C(C)C)C(=O)N1CC1CCCCS1
InChIInChI=1S/C16H30N2OS/c1-11(2)9-14-17-15(12(3)4)16(19)18(14)10-13-7-5-6-8-20-13/h11-15,17H,5-10H2,1-4H3
InChIKeyDVBYVSXOLORXRP-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.10
Rot. Bonds5

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

2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one (PubChem CID 83270997) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
PubChem CID83270997
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one
SMILESCC(C)CC1NC(C(C)C)C(=O)N1CC1CCCCS1
InChIInChI=1S/C16H30N2OS/c1-11(2)9-14-17-15(12(3)4)16(19)18(14)10-13-7-5-6-8-20-13/h11-15,17H,5-10H2,1-4H3
InChIKeyDVBYVSXOLORXRP-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-2-(2-methylpropyl)-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83266972
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270679
2-cyclopentyl-5-(2-methylpropyl)-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83269998
2-propan-2-yl-5-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270758
6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586725
5-ethyl-2-propyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83270759
3-(4-methylpentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83254785
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249091
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
2-methyl-3-(thian-2-ylmethyl)imidazolidin-4-one
CID 83271322

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one (CID 83270997) is 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one is CC(C)CC1NC(C(C)C)C(=O)N1CC1CCCCS1.
What is the InChIKey of 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one?
The InChIKey is DVBYVSXOLORXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-11(2)9-14-17-15(12(3)4)16(19)18(14)10-13-7-5-6-8-20-13/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one?
2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one has a molecular weight of 298.50 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-propan-2-yl-3-(thian-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83270997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).