2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane

C6H12NO4S- — CID 59035177

IUPAC2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane
SMILESCC(C)(C)OC(=O)CNS(=O)[O-]
InChIInChI=1S/C6H13NO4S/c1-6(2,3)11-5(8)4-7-12(9)10/h7H,4H2,1-3H3,(H,9,10)/p-1
InChIKeyBYVNAHRGNYBIIH-UHFFFAOYSA-M
MW194.23 g/mol
LogP-0.29
Rot. Bonds3

About 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane

2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane (PubChem CID 59035177) has the molecular formula C6H12NO4S- and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane.

Molecular Properties

Compound Name2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane
PubChem CID59035177
Molecular FormulaC6H12NO4S-
Molecular Weight194.23 g/mol
Exact Mass194.05
IUPAC Name2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane
SMILESCC(C)(C)OC(=O)CNS(=O)[O-]
InChIInChI=1S/C6H13NO4S/c1-6(2,3)11-5(8)4-7-12(9)10/h7H,4H2,1-3H3,(H,9,10)/p-1
InChIKeyBYVNAHRGNYBIIH-UHFFFAOYSA-M
XLogP-0.29
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl]azanium chloride
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Tert-butyl 2-aminoacetate;hydron;chloride
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Tert-butyl [(tert-butylsulfanyl)amino]acetate
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CID 13446553
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(1-Amino-2-methylpropan-2-yl) acetate
CID 20827160
Tert-butyl 2-(methanesulfonamido)acetate
CID 53797249
(1-Methylcyclopropyl) 2-aminoacetate
CID 54107450
2-Methylbutan-2-yl 2-aminoacetate
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CID 58330469
CID 58330469

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane?
The IUPAC name of 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane (CID 59035177) is 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane.
What is the SMILES notation for 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane?
The canonical SMILES for 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane is CC(C)(C)OC(=O)CNS(=O)[O-].
What is the InChIKey of 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane?
The InChIKey is BYVNAHRGNYBIIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H13NO4S/c1-6(2,3)11-5(8)4-7-12(9)10/h7H,4H2,1-3H3,(H,9,10)/p-1.
What are the key properties of 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane?
2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane has a molecular weight of 194.23 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(sulfinatoamino)acetyl]oxypropane is sourced from PubChem (CID 59035177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).