methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate

C8H16N4O2S — CID 172711200

IUPACmethyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate
SMILESCCNC(=O)N=C(SC)N(CC)C(N)=O
InChIInChI=1S/C8H16N4O2S/c1-4-10-7(14)11-8(15-3)12(5-2)6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,14)
InChIKeyFGSDAMJEUMYLCW-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.84
Rot. Bonds2

About methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate

methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate (PubChem CID 172711200) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate
PubChem CID172711200
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Namemethyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate
SMILESCCNC(=O)N=C(SC)N(CC)C(N)=O
InChIInChI=1S/C8H16N4O2S/c1-4-10-7(14)11-8(15-3)12(5-2)6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,14)
InChIKeyFGSDAMJEUMYLCW-UHFFFAOYSA-N
XLogP0.84
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 22063397
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CID 156628705
3-[[amino(ethylamino)methylidene]amino]propanamide
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methyl N'-(butan-2-ylcarbamoyl)carbamimidothioate
CID 88816478
1-ethyl-3-[(4Z)-hexa-1,4-dien-3-ylidene]urea
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1-(aminosulfanylmethyl)-1,3-diethylurea
CID 87476101
4-[[amino(ethylamino)methylidene]amino]butanamide
CID 62363745
N-(ethylcarbamoyl)-N-propylbutanamide
CID 91362327
1-ethyl-1-(2-hydroxyethanimidoyl)urea
CID 155789915
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide
CID 62009398
N'-ethyldodecanediamide
CID 175230920

Frequently Asked Questions

What is the IUPAC name of methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate?
The IUPAC name of methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate (CID 172711200) is methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate.
What is the SMILES notation for methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate?
The canonical SMILES for methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate is CCNC(=O)N=C(SC)N(CC)C(N)=O.
What is the InChIKey of methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate?
The InChIKey is FGSDAMJEUMYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-4-10-7(14)11-8(15-3)12(5-2)6(9)13/h4-5H2,1-3H3,(H2,9,13)(H,10,14).
What are the key properties of methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate?
methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate has a molecular weight of 232.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-carbamoyl-N-ethyl-N'-(ethylcarbamoyl)carbamimidothioate is sourced from PubChem (CID 172711200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).