5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one

C14H26N2O3S — CID 83244291

IUPAC5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(C2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C14H26N2O3S/c1-4-10(3)13-14(17)16(12(5-2)15-13)11-6-8-20(18,19)9-7-11/h10-13,15H,4-9H2,1-3H3
InChIKeyRRFVIPHEPHKCES-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.15
Rot. Bonds4

About 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one

5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one (PubChem CID 83244291) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
PubChem CID83244291
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC Name5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(C2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C14H26N2O3S/c1-4-10(3)13-14(17)16(12(5-2)15-13)11-6-8-20(18,19)9-7-11/h10-13,15H,4-9H2,1-3H3
InChIKeyRRFVIPHEPHKCES-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one (CID 83244291) is 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one is CCC(C)C1NC(CC)N(C2CCS(=O)(=O)CC2)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one?
The InChIKey is RRFVIPHEPHKCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-4-10(3)13-14(17)16(12(5-2)15-13)11-6-8-20(18,19)9-7-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one?
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one has a molecular weight of 302.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one is sourced from PubChem (CID 83244291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).