N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C14H23N3O5S2 — CID 4832960

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)NC(CCSC)C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O5S2/c1-3-16(10-5-7-24(21,22)9-10)12(18)8-17-13(19)11(4-6-23-2)15-14(17)20/h10-11H,3-9H2,1-2H3,(H,15,20)
InChIKeyILWYDOLIIQFCSS-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.30
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 4832960) has the molecular formula C14H23N3O5S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID4832960
Molecular FormulaC14H23N3O5S2
Molecular Weight377.49 g/mol
Exact Mass377.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)NC(CCSC)C1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O5S2/c1-3-16(10-5-7-24(21,22)9-10)12(18)8-17-13(19)11(4-6-23-2)15-14(17)20/h10-11H,3-9H2,1-2H3,(H,15,20)
InChIKeyILWYDOLIIQFCSS-UHFFFAOYSA-N
XLogP-0.30
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 4832960) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(C(=O)CN1C(=O)NC(CCSC)C1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ILWYDOLIIQFCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S2/c1-3-16(10-5-7-24(21,22)9-10)12(18)8-17-13(19)11(4-6-23-2)15-14(17)20/h10-11H,3-9H2,1-2H3,(H,15,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4832960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).