5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione

C15H24N2O4S — CID 154743155

IUPAC5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCCC2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C15H24N2O4S/c1-15(12-4-2-3-5-12)13(18)17(14(19)16-15)10-11-6-8-22(20,21)9-7-11/h11-12H,2-10H2,1H3,(H,16,19)
InChIKeyAYSVNVDHAXPXET-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.31
Rot. Bonds3

About 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione

5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 154743155) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID154743155
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCCC2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O
InChIInChI=1S/C15H24N2O4S/c1-15(12-4-2-3-5-12)13(18)17(14(19)16-15)10-11-6-8-22(20,21)9-7-11/h11-12H,2-10H2,1H3,(H,16,19)
InChIKeyAYSVNVDHAXPXET-UHFFFAOYSA-N
XLogP1.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 154743155) is 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione is CC1(C2CCCC2)NC(=O)N(CC2CCS(=O)(=O)CC2)C1=O.
What is the InChIKey of 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AYSVNVDHAXPXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(12-4-2-3-5-12)13(18)17(14(19)16-15)10-11-6-8-22(20,21)9-7-11/h11-12H,2-10H2,1H3,(H,16,19).
What are the key properties of 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione?
5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 328.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[(1,1-dioxothian-4-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154743155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).