(1R)-1-amino-3-sulfanylpropane-1-sulfinic acid

C3H9NO2S2 — CID 22801376

IUPAC(1R)-1-amino-3-sulfanylpropane-1-sulfinic acid
SMILESN[C@@H](CCS)S(=O)O
InChIInChI=1S/C3H9NO2S2/c4-3(1-2-7)8(5)6/h3,7H,1-2,4H2,(H,5,6)/t3-/m1/s1
InChIKeyJOXUBWKEJVADRL-GSVOUGTGSA-N
MW155.24 g/mol
LogP-0.19
Rot. Bonds3

About (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid

(1R)-1-amino-3-sulfanylpropane-1-sulfinic acid (PubChem CID 22801376) has the molecular formula C3H9NO2S2 and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid.

Molecular Properties

Compound Name(1R)-1-amino-3-sulfanylpropane-1-sulfinic acid
PubChem CID22801376
Molecular FormulaC3H9NO2S2
Molecular Weight155.24 g/mol
Exact Mass155.01
IUPAC Name(1R)-1-amino-3-sulfanylpropane-1-sulfinic acid
SMILESN[C@@H](CCS)S(=O)O
InChIInChI=1S/C3H9NO2S2/c4-3(1-2-7)8(5)6/h3,7H,1-2,4H2,(H,5,6)/t3-/m1/s1
InChIKeyJOXUBWKEJVADRL-GSVOUGTGSA-N
XLogP-0.19
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid?
The IUPAC name of (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid (CID 22801376) is (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid.
What is the SMILES notation for (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid?
The canonical SMILES for (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid is N[C@@H](CCS)S(=O)O.
What is the InChIKey of (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid?
The InChIKey is JOXUBWKEJVADRL-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H9NO2S2/c4-3(1-2-7)8(5)6/h3,7H,1-2,4H2,(H,5,6)/t3-/m1/s1.
What are the key properties of (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid?
(1R)-1-amino-3-sulfanylpropane-1-sulfinic acid has a molecular weight of 155.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-3-sulfanylpropane-1-sulfinic acid is sourced from PubChem (CID 22801376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).