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

C6H13NO4S — CID 59035178

IUPAC2-methyl-2-[2-(sulfinoamino)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)
InChIKeyBYVNAHRGNYBIIH-UHFFFAOYSA-N
MW195.24 g/mol
LogP0.05
Rot. Bonds3

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

2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane (PubChem CID 59035178) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane.

Molecular Properties

Compound Name2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane
PubChem CID59035178
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-methyl-2-[2-(sulfinoamino)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)
InChIKeyBYVNAHRGNYBIIH-UHFFFAOYSA-N
XLogP0.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
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CID 58330469
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2-Methyl-2-[2-(sulfinatoamino)acetyl]oxypropane
CID 59035177
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2-[(2-Methylpropan-2-yl)oxycarbonylsulfanylamino]acetic acid
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CID 123563944
Tert-butyl 2-(methylsulfamoylamino)acetate
CID 166677621
Tert-butyl 2-(iodosulfanylamino)acetate
CID 169642298
2-methyl-2-[(2R)-2-(sulfinatoamino)propanoyl]oxypropane
CID 169886757
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane?
The IUPAC name of 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane (CID 59035178) is 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane.
What is the SMILES notation for 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane?
The canonical SMILES for 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane is CC(C)(C)OC(=O)CNS(=O)O.
What is the InChIKey of 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane?
The InChIKey is BYVNAHRGNYBIIH-UHFFFAOYSA-N. 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).
What are the key properties of 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane?
2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane has a molecular weight of 195.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane is sourced from PubChem (CID 59035178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).