3-(3-amino-3-iminopropyl)sulfanylpropanimidamide

C6H14N4S — CID 151284922

IUPAC3-(3-amino-3-iminopropyl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSCC/C(N)=N/[H]
InChIInChI=1S/C6H14N4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H3,7,8)(H3,9,10)
InChIKeyNZEJVFOCLOEKMD-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.37
Rot. Bonds6

About 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide

3-(3-amino-3-iminopropyl)sulfanylpropanimidamide (PubChem CID 151284922) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide.

Molecular Properties

Compound Name3-(3-amino-3-iminopropyl)sulfanylpropanimidamide
PubChem CID151284922
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name3-(3-amino-3-iminopropyl)sulfanylpropanimidamide
SMILES[H]/N=C(\N)CCSCC/C(N)=N/[H]
InChIInChI=1S/C6H14N4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H3,7,8)(H3,9,10)
InChIKeyNZEJVFOCLOEKMD-UHFFFAOYSA-N
XLogP0.37
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.37
H-Bond Donors ≤ 54
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'}

Analyze 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide?
The IUPAC name of 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide (CID 151284922) is 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide.
What is the SMILES notation for 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide?
The canonical SMILES for 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide is [H]/N=C(\N)CCSCC/C(N)=N/[H].
What is the InChIKey of 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide?
The InChIKey is NZEJVFOCLOEKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H3,7,8)(H3,9,10).
What are the key properties of 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide?
3-(3-amino-3-iminopropyl)sulfanylpropanimidamide has a molecular weight of 174.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-3-iminopropyl)sulfanylpropanimidamide is sourced from PubChem (CID 151284922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).