methyl 2-methyl-2-(sulfanylamino)propanoate

C5H11NO2S — CID 59695497

IUPACmethyl 2-methyl-2-(sulfanylamino)propanoate
SMILESCOC(=O)C(C)(C)NS
InChIInChI=1S/C5H11NO2S/c1-5(2,6-9)4(7)8-3/h6,9H,1-3H3
InChIKeyPZUOCMYNXBSTDY-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.37
Rot. Bonds2

About methyl 2-methyl-2-(sulfanylamino)propanoate

methyl 2-methyl-2-(sulfanylamino)propanoate (PubChem CID 59695497) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is methyl 2-methyl-2-(sulfanylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(sulfanylamino)propanoate
PubChem CID59695497
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Namemethyl 2-methyl-2-(sulfanylamino)propanoate
SMILESCOC(=O)C(C)(C)NS
InChIInChI=1S/C5H11NO2S/c1-5(2,6-9)4(7)8-3/h6,9H,1-3H3
InChIKeyPZUOCMYNXBSTDY-UHFFFAOYSA-N
XLogP0.37
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
methyl 2-methyl-2-(2-methylhydrazinyl)propanoate
CID 166887564
methyl 2-[[[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-methylphosphoryl]amino]-2-methylpropanoate
CID 23401527
methyl 2-methyl-2-(3-methylbutan-2-ylamino)propanoate
CID 43726051
methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15853247
dimethyl 2-(disulfanyl)-2-methylpropanedioate
CID 21141917
dimethyl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 151999350
dimethyl 2-iodo-2-methylpropanedioate
CID 23080719
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477
methyl 2-bromo-2,3-dimethylbutanoate
CID 13167259
methyl 2,2-diaminopropanoate;dihydrochloride
CID 142678303
3-O-(3-methoxy-2,2-dimethyl-3-oxopropanoyl) 1-O-methyl 2,2-dimethylpropanedioate
CID 139054712

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(sulfanylamino)propanoate?
The IUPAC name of methyl 2-methyl-2-(sulfanylamino)propanoate (CID 59695497) is methyl 2-methyl-2-(sulfanylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(sulfanylamino)propanoate?
The canonical SMILES for methyl 2-methyl-2-(sulfanylamino)propanoate is COC(=O)C(C)(C)NS.
What is the InChIKey of methyl 2-methyl-2-(sulfanylamino)propanoate?
The InChIKey is PZUOCMYNXBSTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(2,6-9)4(7)8-3/h6,9H,1-3H3.
What are the key properties of methyl 2-methyl-2-(sulfanylamino)propanoate?
methyl 2-methyl-2-(sulfanylamino)propanoate has a molecular weight of 149.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(sulfanylamino)propanoate is sourced from PubChem (CID 59695497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).