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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Related Compounds

2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane
CID 118253094
N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide
CID 154525602
[(2S,3R)-2-amino-3-hydroxy-4-[methyl(sulfinato)amino]butyl]benzene
CID 170444225
3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
CID 115773225
3-methylsulfinylpropane-1,2-diol
CID 22377909
sodium 2,3-dihydroxypropyl sulfite
CID 174802259
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
3-[bis[1-(dimethylamino)propyl]amino]propane-1,2-diol
CID 23106300
3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
N-[(2S)-2,3-dihydroxypropyl]-N-propan-2-ylmethanesulfonamide
CID 12952545
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087

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).