1-oxo-2-(sulfinoamino)propane

C3H7NO3S — CID 57134062

IUPAC1-oxo-2-(sulfinoamino)propane
SMILESCC(C=O)NS(=O)O
InChIInChI=1S/C3H7NO3S/c1-3(2-5)4-8(6)7/h2-4H,1H3,(H,6,7)
InChIKeySKGPSYHEXOBYMO-UHFFFAOYSA-N
MW137.16 g/mol
LogP-0.70
Rot. Bonds3

About 1-oxo-2-(sulfinoamino)propane

1-oxo-2-(sulfinoamino)propane (PubChem CID 57134062) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is 1-oxo-2-(sulfinoamino)propane.

Molecular Properties

Compound Name1-oxo-2-(sulfinoamino)propane
PubChem CID57134062
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name1-oxo-2-(sulfinoamino)propane
SMILESCC(C=O)NS(=O)O
InChIInChI=1S/C3H7NO3S/c1-3(2-5)4-8(6)7/h2-4H,1H3,(H,6,7)
InChIKeySKGPSYHEXOBYMO-UHFFFAOYSA-N
XLogP-0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-methyl-1-oxo-2-(sulfinoamino)butane
CID 159607588
[(2S)-2-(sulfinoamino)propanoyl]cyclopropane
CID 57202481
3-methyl-2-(sulfinoamino)pentane
CID 57324633
2-(iodoamino)propanal
CID 89241681
oxo-(sulfinoamino)methane
CID 18313827
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]propanamide
CID 163702587
2-acetamido-N-[1-oxo-1-[[1-oxo-1-(1-oxopropan-2-ylamino)propan-2-yl]amino]propan-2-yl]propanamide
CID 173042911
S-[(2R)-3-methylbutan-2-yl] N-(1-oxopropan-2-yl)carbamothioate
CID 143352436
1,1-diethyl-3-[(2S)-1-oxopropan-2-yl]urea
CID 87454696
1-[1-(sulfinoamino)ethoxy]propane
CID 130220173
(2S)-2-(ethylamino)propanal
CID 54567079
hydrogen peroxide;2-methylpropanal
CID 174448714

Frequently Asked Questions

What is the IUPAC name of 1-oxo-2-(sulfinoamino)propane?
The IUPAC name of 1-oxo-2-(sulfinoamino)propane (CID 57134062) is 1-oxo-2-(sulfinoamino)propane.
What is the SMILES notation for 1-oxo-2-(sulfinoamino)propane?
The canonical SMILES for 1-oxo-2-(sulfinoamino)propane is CC(C=O)NS(=O)O.
What is the InChIKey of 1-oxo-2-(sulfinoamino)propane?
The InChIKey is SKGPSYHEXOBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c1-3(2-5)4-8(6)7/h2-4H,1H3,(H,6,7).
What are the key properties of 1-oxo-2-(sulfinoamino)propane?
1-oxo-2-(sulfinoamino)propane has a molecular weight of 137.16 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2-(sulfinoamino)propane is sourced from PubChem (CID 57134062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).