3-(oxidoamino)propane-1-thiol

C3H8NOS- — CID 141228134

IUPAC3-(oxidoamino)propane-1-thiol
SMILES[O-]NCCCS
InChIInChI=1S/C3H8NOS/c5-4-2-1-3-6/h4,6H,1-3H2/q-1
InChIKeyMWCDYNPJKDCGED-UHFFFAOYSA-N
MW106.17 g/mol
LogP0.39
Rot. Bonds3

About 3-(oxidoamino)propane-1-thiol

3-(oxidoamino)propane-1-thiol (PubChem CID 141228134) has the molecular formula C3H8NOS- and a molecular weight of 106.17 g/mol. Its IUPAC name is 3-(oxidoamino)propane-1-thiol.

Molecular Properties

Compound Name3-(oxidoamino)propane-1-thiol
PubChem CID141228134
Molecular FormulaC3H8NOS-
Molecular Weight106.17 g/mol
Exact Mass106.03
IUPAC Name3-(oxidoamino)propane-1-thiol
SMILES[O-]NCCCS
InChIInChI=1S/C3H8NOS/c5-4-2-1-3-6/h4,6H,1-3H2/q-1
InChIKeyMWCDYNPJKDCGED-UHFFFAOYSA-N
XLogP0.39
TPSA35.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-aminoethyl)hydrazinyl]propane-1-thiol
CID 170405976
N-(3-aminopropyl)-N'-oxidobutane-1,4-diamine
CID 167441080
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
4-(iodoamino)butane-1-thiol
CID 126549406
8-methyl-N-oxidononan-1-amine
CID 170430879
1-(oxidoamino)decan-4-one
CID 143220146
N'-oxidoethane-1,2-diamine
CID 58480278
nonane-1,9-dithiol;silver
CID 87575502
N-(3-sulfanylpropyl)prop-2-ynamide
CID 170149146
3-(1-aminopropan-2-ylamino)propane-1-thiol
CID 54076736
2-[(2-methylpropan-2-yl)oxy]-N-(3-sulfanylpropyl)acetamide
CID 155051712

Frequently Asked Questions

What is the IUPAC name of 3-(oxidoamino)propane-1-thiol?
The IUPAC name of 3-(oxidoamino)propane-1-thiol (CID 141228134) is 3-(oxidoamino)propane-1-thiol.
What is the SMILES notation for 3-(oxidoamino)propane-1-thiol?
The canonical SMILES for 3-(oxidoamino)propane-1-thiol is [O-]NCCCS.
What is the InChIKey of 3-(oxidoamino)propane-1-thiol?
The InChIKey is MWCDYNPJKDCGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NOS/c5-4-2-1-3-6/h4,6H,1-3H2/q-1.
What are the key properties of 3-(oxidoamino)propane-1-thiol?
3-(oxidoamino)propane-1-thiol has a molecular weight of 106.17 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxidoamino)propane-1-thiol is sourced from PubChem (CID 141228134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).