3-[methyl(sulfinamoyloxy)amino]prop-1-yne

C4H8N2O2S — CID 59887687

IUPAC3-[methyl(sulfinamoyloxy)amino]prop-1-yne
SMILESC#CCN(C)OS(N)=O
InChIInChI=1S/C4H8N2O2S/c1-3-4-6(2)8-9(5)7/h1H,4-5H2,2H3
InChIKeyBOLKBMRFWRRFRY-UHFFFAOYSA-N
MW148.19 g/mol
LogP-0.98
Rot. Bonds3

About 3-[methyl(sulfinamoyloxy)amino]prop-1-yne

3-[methyl(sulfinamoyloxy)amino]prop-1-yne (PubChem CID 59887687) has the molecular formula C4H8N2O2S and a molecular weight of 148.19 g/mol. Its IUPAC name is 3-[methyl(sulfinamoyloxy)amino]prop-1-yne.

Molecular Properties

Compound Name3-[methyl(sulfinamoyloxy)amino]prop-1-yne
PubChem CID59887687
Molecular FormulaC4H8N2O2S
Molecular Weight148.19 g/mol
Exact Mass148.03
IUPAC Name3-[methyl(sulfinamoyloxy)amino]prop-1-yne
SMILESC#CCN(C)OS(N)=O
InChIInChI=1S/C4H8N2O2S/c1-3-4-6(2)8-9(5)7/h1H,4-5H2,2H3
InChIKeyBOLKBMRFWRRFRY-UHFFFAOYSA-N
XLogP-0.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[methyl(sulfinamoyloxy)amino]prop-1-yne 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-[methyl(sulfinamoyloxy)amino]prop-1-yne?
The IUPAC name of 3-[methyl(sulfinamoyloxy)amino]prop-1-yne (CID 59887687) is 3-[methyl(sulfinamoyloxy)amino]prop-1-yne.
What is the SMILES notation for 3-[methyl(sulfinamoyloxy)amino]prop-1-yne?
The canonical SMILES for 3-[methyl(sulfinamoyloxy)amino]prop-1-yne is C#CCN(C)OS(N)=O.
What is the InChIKey of 3-[methyl(sulfinamoyloxy)amino]prop-1-yne?
The InChIKey is BOLKBMRFWRRFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2S/c1-3-4-6(2)8-9(5)7/h1H,4-5H2,2H3.
What are the key properties of 3-[methyl(sulfinamoyloxy)amino]prop-1-yne?
3-[methyl(sulfinamoyloxy)amino]prop-1-yne has a molecular weight of 148.19 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(sulfinamoyloxy)amino]prop-1-yne is sourced from PubChem (CID 59887687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).