1,2-dihydroxy-3-[methyl(sulfinato)amino]propane

C4H10NO4S- — CID 91491359

IUPAC1,2-dihydroxy-3-[methyl(sulfinato)amino]propane
SMILESCN(CC(O)CO)S(=O)[O-]
InChIInChI=1S/C4H11NO4S/c1-5(10(8)9)2-4(7)3-6/h4,6-7H,2-3H2,1H3,(H,8,9)/p-1
InChIKeyAQHDGXQEUIYERI-UHFFFAOYSA-M
MW168.19 g/mol
LogP-1.93
Rot. Bonds4

About 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane

1,2-dihydroxy-3-[methyl(sulfinato)amino]propane (PubChem CID 91491359) has the molecular formula C4H10NO4S- and a molecular weight of 168.19 g/mol. Its IUPAC name is 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane.

Molecular Properties

Compound Name1,2-dihydroxy-3-[methyl(sulfinato)amino]propane
PubChem CID91491359
Molecular FormulaC4H10NO4S-
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name1,2-dihydroxy-3-[methyl(sulfinato)amino]propane
SMILESCN(CC(O)CO)S(=O)[O-]
InChIInChI=1S/C4H11NO4S/c1-5(10(8)9)2-4(7)3-6/h4,6-7H,2-3H2,1H3,(H,8,9)/p-1
InChIKeyAQHDGXQEUIYERI-UHFFFAOYSA-M
XLogP-1.93
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane?
The IUPAC name of 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane (CID 91491359) is 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane.
What is the SMILES notation for 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane?
The canonical SMILES for 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane is CN(CC(O)CO)S(=O)[O-].
What is the InChIKey of 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane?
The InChIKey is AQHDGXQEUIYERI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO4S/c1-5(10(8)9)2-4(7)3-6/h4,6-7H,2-3H2,1H3,(H,8,9)/p-1.
What are the key properties of 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane?
1,2-dihydroxy-3-[methyl(sulfinato)amino]propane has a molecular weight of 168.19 g/mol, XLogP of -1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxy-3-[methyl(sulfinato)amino]propane is sourced from PubChem (CID 91491359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).