S-(3-aminopropyl)thiohydroxylamine

C3H10N2S — CID 87596332

IUPACS-(3-aminopropyl)thiohydroxylamine
SMILESNCCCSN
InChIInChI=1S/C3H10N2S/c4-2-1-3-6-5/h1-5H2
InChIKeyYDEQPTKGRBNSOA-UHFFFAOYSA-N
MW106.19 g/mol
LogP-0.06
Rot. Bonds3

About S-(3-aminopropyl)thiohydroxylamine

S-(3-aminopropyl)thiohydroxylamine (PubChem CID 87596332) has the molecular formula C3H10N2S and a molecular weight of 106.19 g/mol. Its IUPAC name is S-(3-aminopropyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(3-aminopropyl)thiohydroxylamine
PubChem CID87596332
Molecular FormulaC3H10N2S
Molecular Weight106.19 g/mol
Exact Mass106.06
IUPAC NameS-(3-aminopropyl)thiohydroxylamine
SMILESNCCCSN
InChIInChI=1S/C3H10N2S/c4-2-1-3-6-5/h1-5H2
InChIKeyYDEQPTKGRBNSOA-UHFFFAOYSA-N
XLogP-0.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze S-(3-aminopropyl)thiohydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

S-(3-iodopropyl)thiohydroxylamine
CID 129101559
S-octylthiohydroxylamine
CID 130279962
2-aminoethyl 4-aminosulfanylbutanoate
CID 57252603
3-(3-aminopropylsilyl)propan-1-amine
CID 172690890
S-dotriacontylthiohydroxylamine;hydrochloride
CID 141039894
3-ethylsilylpropan-1-amine
CID 159309450
octatriacontane-1,38-diamine
CID 54235792
CID 21315680
CID 21315680
iron(3+);propane-1,3-diamine
CID 18953212
azane;butane-1,4-diamine
CID 87378889
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
butane-1,4-diamine;europium
CID 90401592

Frequently Asked Questions

What is the IUPAC name of S-(3-aminopropyl)thiohydroxylamine?
The IUPAC name of S-(3-aminopropyl)thiohydroxylamine (CID 87596332) is S-(3-aminopropyl)thiohydroxylamine.
What is the SMILES notation for S-(3-aminopropyl)thiohydroxylamine?
The canonical SMILES for S-(3-aminopropyl)thiohydroxylamine is NCCCSN.
What is the InChIKey of S-(3-aminopropyl)thiohydroxylamine?
The InChIKey is YDEQPTKGRBNSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2S/c4-2-1-3-6-5/h1-5H2.
What are the key properties of S-(3-aminopropyl)thiohydroxylamine?
S-(3-aminopropyl)thiohydroxylamine has a molecular weight of 106.19 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3-aminopropyl)thiohydroxylamine is sourced from PubChem (CID 87596332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).