3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide

C11H22N4O2S — CID 55171902

IUPAC3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide
SMILESCOCCN(CCC(N)=S)CCN1CCNC1=O
InChIInChI=1S/C11H22N4O2S/c1-17-9-8-14(4-2-10(12)18)6-7-15-5-3-13-11(15)16/h2-9H2,1H3,(H2,12,18)(H,13,16)
InChIKeyWNJNOHYRZMRNDV-UHFFFAOYSA-N
MW274.39 g/mol
LogP-0.36
Rot. Bonds9

About 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide

3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide (PubChem CID 55171902) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide.

Molecular Properties

Compound Name3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide
PubChem CID55171902
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide
SMILESCOCCN(CCC(N)=S)CCN1CCNC1=O
InChIInChI=1S/C11H22N4O2S/c1-17-9-8-14(4-2-10(12)18)6-7-15-5-3-13-11(15)16/h2-9H2,1H3,(H2,12,18)(H,13,16)
InChIKeyWNJNOHYRZMRNDV-UHFFFAOYSA-N
XLogP-0.36
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[ethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
CID 55206811
2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63285324
disodium;2-[carboxylatomethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]acetate
CID 164526661
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanethioamide
CID 55172286
4-[ethyl(2-methoxyethyl)amino]butanethioamide
CID 61448533
3-(carbamoylamino)-1,1-bis[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118202491
3-[2-methoxyethyl(morpholin-4-ylsulfonyl)amino]propanethioamide
CID 63285308
1-ethyl-1-[2-[2-oxo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidin-1-yl]ethyl]urea
CID 137421992
1-[2-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]imidazolidin-2-one
CID 79661171
N-(3-amino-3-sulfanylidenepropyl)-2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-methylacetamide
CID 63596319
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 79155269
1-[3-[methoxy(dimethyl)silyl]butyl]imidazolidin-2-one
CID 166544776

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide?
The IUPAC name of 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide (CID 55171902) is 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide.
What is the SMILES notation for 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide?
The canonical SMILES for 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide is COCCN(CCC(N)=S)CCN1CCNC1=O.
What is the InChIKey of 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide?
The InChIKey is WNJNOHYRZMRNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-17-9-8-14(4-2-10(12)18)6-7-15-5-3-13-11(15)16/h2-9H2,1H3,(H2,12,18)(H,13,16).
What are the key properties of 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide?
3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide has a molecular weight of 274.39 g/mol, XLogP of -0.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[2-(2-oxoimidazolidin-1-yl)ethyl]amino]propanethioamide is sourced from PubChem (CID 55171902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).