3-oxidoperoxysulfanylpropan-1-amine

C3H8NO3S- — CID 58031120

IUPAC3-oxidoperoxysulfanylpropan-1-amine
SMILESNCCCSOO[O-]
InChIInChI=1S/C3H9NO3S/c4-2-1-3-8-7-6-5/h5H,1-4H2/p-1
InChIKeyKYZOTVIRFJJFBS-UHFFFAOYSA-M
MW138.17 g/mol
LogP-0.79
Rot. Bonds5

About 3-oxidoperoxysulfanylpropan-1-amine

3-oxidoperoxysulfanylpropan-1-amine (PubChem CID 58031120) has the molecular formula C3H8NO3S- and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-oxidoperoxysulfanylpropan-1-amine.

Molecular Properties

Compound Name3-oxidoperoxysulfanylpropan-1-amine
PubChem CID58031120
Molecular FormulaC3H8NO3S-
Molecular Weight138.17 g/mol
Exact Mass138.02
IUPAC Name3-oxidoperoxysulfanylpropan-1-amine
SMILESNCCCSOO[O-]
InChIInChI=1S/C3H9NO3S/c4-2-1-3-8-7-6-5/h5H,1-4H2/p-1
InChIKeyKYZOTVIRFJJFBS-UHFFFAOYSA-M
XLogP-0.79
TPSA67.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Aminopropane-1-sulfinate
CID 6410451
2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
3-Azaniumylpropane-1-sulfinate
CID 44292529
3-(Trioxidanylsulfanyl)propan-1-amine
CID 58031121
Sodium 3-oxidoperoxysulfanylpropan-1-amine
CID 58931860
2-Oxidoperoxysulfanylethanamine
CID 59346052
2-(Trioxidanylsulfanyl)ethanamine
CID 59346053
3-Hydroxysulfanylpropan-1-amine
CID 124083928
3-(Trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 143992139
3-Aminopropyl(dihydroxy)sulfanium
CID 172716483
3-Aminopropyl(oxo)sulfanium
CID 174585556

Frequently Asked Questions

What is the IUPAC name of 3-oxidoperoxysulfanylpropan-1-amine?
The IUPAC name of 3-oxidoperoxysulfanylpropan-1-amine (CID 58031120) is 3-oxidoperoxysulfanylpropan-1-amine.
What is the SMILES notation for 3-oxidoperoxysulfanylpropan-1-amine?
The canonical SMILES for 3-oxidoperoxysulfanylpropan-1-amine is NCCCSOO[O-].
What is the InChIKey of 3-oxidoperoxysulfanylpropan-1-amine?
The InChIKey is KYZOTVIRFJJFBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9NO3S/c4-2-1-3-8-7-6-5/h5H,1-4H2/p-1.
What are the key properties of 3-oxidoperoxysulfanylpropan-1-amine?
3-oxidoperoxysulfanylpropan-1-amine has a molecular weight of 138.17 g/mol, XLogP of -0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxidoperoxysulfanylpropan-1-amine is sourced from PubChem (CID 58031120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).