2-aminopropyl N'-methylcarbamimidothioate

C5H13N3S — CID 6451601

IUPAC2-aminopropyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC(C)N
InChIInChI=1S/C5H13N3S/c1-4(6)3-9-5(7)8-2/h4H,3,6H2,1-2H3,(H2,7,8)
InChIKeyIZWQPIIERKZICR-UHFFFAOYSA-N
MW147.25 g/mol
LogP0.01
Rot. Bonds2

About 2-aminopropyl N'-methylcarbamimidothioate

2-aminopropyl N'-methylcarbamimidothioate (PubChem CID 6451601) has the molecular formula C5H13N3S and a molecular weight of 147.25 g/mol. Its IUPAC name is 2-aminopropyl N'-methylcarbamimidothioate.

Molecular Properties

Compound Name2-aminopropyl N'-methylcarbamimidothioate
PubChem CID6451601
Molecular FormulaC5H13N3S
Molecular Weight147.25 g/mol
Exact Mass147.08
IUPAC Name2-aminopropyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC(C)N
InChIInChI=1S/C5H13N3S/c1-4(6)3-9-5(7)8-2/h4H,3,6H2,1-2H3,(H2,7,8)
InChIKeyIZWQPIIERKZICR-UHFFFAOYSA-N
XLogP0.01
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.25
LogP ≤ 50.01
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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Frequently Asked Questions

What is the IUPAC name of 2-aminopropyl N'-methylcarbamimidothioate?
The IUPAC name of 2-aminopropyl N'-methylcarbamimidothioate (CID 6451601) is 2-aminopropyl N'-methylcarbamimidothioate.
What is the SMILES notation for 2-aminopropyl N'-methylcarbamimidothioate?
The canonical SMILES for 2-aminopropyl N'-methylcarbamimidothioate is C/N=C(\N)SCC(C)N.
What is the InChIKey of 2-aminopropyl N'-methylcarbamimidothioate?
The InChIKey is IZWQPIIERKZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3S/c1-4(6)3-9-5(7)8-2/h4H,3,6H2,1-2H3,(H2,7,8).
What are the key properties of 2-aminopropyl N'-methylcarbamimidothioate?
2-aminopropyl N'-methylcarbamimidothioate has a molecular weight of 147.25 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropyl N'-methylcarbamimidothioate is sourced from PubChem (CID 6451601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).