methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate

C7H15NO2S — CID 104523433

IUPACmethyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate
SMILESCOC(=O)CSC(C)(C)CN
InChIInChI=1S/C7H15NO2S/c1-7(2,5-8)11-4-6(9)10-3/h4-5,8H2,1-3H3
InChIKeyKUXIPVSZMIXMFT-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.63
Rot. Bonds4

About methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate

methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate (PubChem CID 104523433) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate
PubChem CID104523433
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Namemethyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate
SMILESCOC(=O)CSC(C)(C)CN
InChIInChI=1S/C7H15NO2S/c1-7(2,5-8)11-4-6(9)10-3/h4-5,8H2,1-3H3
InChIKeyKUXIPVSZMIXMFT-UHFFFAOYSA-N
XLogP0.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate?
The IUPAC name of methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate (CID 104523433) is methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate is COC(=O)CSC(C)(C)CN.
What is the InChIKey of methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate?
The InChIKey is KUXIPVSZMIXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2,5-8)11-4-6(9)10-3/h4-5,8H2,1-3H3.
What are the key properties of methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate?
methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate has a molecular weight of 177.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-amino-2-methylpropan-2-yl)sulfanylacetate is sourced from PubChem (CID 104523433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).