3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate

C10H23N3S — CID 57153976

IUPAC3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate
SMILESCCN/C(=N\C)SCCCN(C)CC
InChIInChI=1S/C10H23N3S/c1-5-12-10(11-3)14-9-7-8-13(4)6-2/h5-9H2,1-4H3,(H,11,12)
InChIKeySFPYENJMZDIJFI-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.66
Rot. Bonds6

About 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate

3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate (PubChem CID 57153976) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate.

Molecular Properties

Compound Name3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate
PubChem CID57153976
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate
SMILESCCN/C(=N\C)SCCCN(C)CC
InChIInChI=1S/C10H23N3S/c1-5-12-10(11-3)14-9-7-8-13(4)6-2/h5-9H2,1-4H3,(H,11,12)
InChIKeySFPYENJMZDIJFI-UHFFFAOYSA-N
XLogP1.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate?
The IUPAC name of 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate (CID 57153976) is 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate.
What is the SMILES notation for 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate?
The canonical SMILES for 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate is CCN/C(=N\C)SCCCN(C)CC.
What is the InChIKey of 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate?
The InChIKey is SFPYENJMZDIJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-5-12-10(11-3)14-9-7-8-13(4)6-2/h5-9H2,1-4H3,(H,11,12).
What are the key properties of 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate?
3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate has a molecular weight of 217.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(methyl)amino]propyl N-ethyl-N'-methylcarbamimidothioate is sourced from PubChem (CID 57153976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).