5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione

C13H22N4O4S2 — CID 21418031

IUPAC5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(SN2CCOCC2)C(=O)N1SN1CCOCC1
InChIInChI=1S/C13H22N4O4S2/c1-13(2)11(18)16(22-14-3-7-20-8-4-14)12(19)17(13)23-15-5-9-21-10-6-15/h3-10H2,1-2H3
InChIKeyUIEQTYHCQCPCDY-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.82
Rot. Bonds4

About 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione

5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione (PubChem CID 21418031) has the molecular formula C13H22N4O4S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione
PubChem CID21418031
Molecular FormulaC13H22N4O4S2
Molecular Weight362.48 g/mol
Exact Mass362.11
IUPAC Name5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(SN2CCOCC2)C(=O)N1SN1CCOCC1
InChIInChI=1S/C13H22N4O4S2/c1-13(2)11(18)16(22-14-3-7-20-8-4-14)12(19)17(13)23-15-5-9-21-10-6-15/h3-10H2,1-2H3
InChIKeyUIEQTYHCQCPCDY-UHFFFAOYSA-N
XLogP0.82
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione (CID 21418031) is 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione is CC1(C)C(=O)N(SN2CCOCC2)C(=O)N1SN1CCOCC1.
What is the InChIKey of 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione?
The InChIKey is UIEQTYHCQCPCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S2/c1-13(2)11(18)16(22-14-3-7-20-8-4-14)12(19)17(13)23-15-5-9-21-10-6-15/h3-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione?
5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione has a molecular weight of 362.48 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-bis(morpholin-4-ylsulfanyl)imidazolidine-2,4-dione is sourced from PubChem (CID 21418031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).