(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane

C3H8N2O4S — CID 57317568

IUPAC(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane
SMILESC[C@H](N)C(=O)ONS(=O)O
InChIInChI=1S/C3H8N2O4S/c1-2(4)3(6)9-5-10(7)8/h2,5H,4H2,1H3,(H,7,8)/t2-/m0/s1
InChIKeyJBOAYHDFKZIFBF-REOHCLBHSA-N
MW168.17 g/mol
LogP-1.48
Rot. Bonds3

About (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane

(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane (PubChem CID 57317568) has the molecular formula C3H8N2O4S and a molecular weight of 168.17 g/mol. Its IUPAC name is (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane.

Molecular Properties

Compound Name(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane
PubChem CID57317568
Molecular FormulaC3H8N2O4S
Molecular Weight168.17 g/mol
Exact Mass168.02
IUPAC Name(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane
SMILESC[C@H](N)C(=O)ONS(=O)O
InChIInChI=1S/C3H8N2O4S/c1-2(4)3(6)9-5-10(7)8/h2,5H,4H2,1H3,(H,7,8)/t2-/m0/s1
InChIKeyJBOAYHDFKZIFBF-REOHCLBHSA-N
XLogP-1.48
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-1-oxo-1-(sulfinatoamino)oxypropane
CID 57317567
methyl 2-aminopropanoate
CID 159707893
1-methoxy-3-methyl-1-oxo-2-(sulfinoamino)butane
CID 159607588
1-sulfanylidene-1-(sulfinoamino)oxyethane
CID 123639788
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
CID 54111393
carbamoyl (2R)-2-aminopropanoate
CID 139238224
aminomethyl (2S)-2-aminopropanoate
CID 139681738
sulfino 3-methylbutanoate
CID 91281138
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
CID 86589108
CID 86589108
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-aminopropanoate
CID 13089460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane?
The IUPAC name of (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane (CID 57317568) is (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane.
What is the SMILES notation for (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane?
The canonical SMILES for (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane is C[C@H](N)C(=O)ONS(=O)O.
What is the InChIKey of (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane?
The InChIKey is JBOAYHDFKZIFBF-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8N2O4S/c1-2(4)3(6)9-5-10(7)8/h2,5H,4H2,1H3,(H,7,8)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane?
(2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane has a molecular weight of 168.17 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-oxo-1-(sulfinoamino)oxypropane is sourced from PubChem (CID 57317568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).