tert-butyl 2-(methanesulfinamido)acetate

C7H15NO3S — CID 143068287

IUPACtert-butyl 2-(methanesulfinamido)acetate
SMILESCS(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO3S/c1-7(2,3)11-6(9)5-8-12(4)10/h8H,5H2,1-4H3
InChIKeyFFSKKYDFKOAAKV-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.21
Rot. Bonds3

About tert-butyl 2-(methanesulfinamido)acetate

tert-butyl 2-(methanesulfinamido)acetate (PubChem CID 143068287) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is tert-butyl 2-(methanesulfinamido)acetate.

Molecular Properties

Compound Nametert-butyl 2-(methanesulfinamido)acetate
PubChem CID143068287
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Nametert-butyl 2-(methanesulfinamido)acetate
SMILESCS(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C7H15NO3S/c1-7(2,3)11-6(9)5-8-12(4)10/h8H,5H2,1-4H3
InChIKeyFFSKKYDFKOAAKV-UHFFFAOYSA-N
XLogP0.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[2-(sulfinoamino)acetyl]oxypropane
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tert-butyl 2-(methylamino)acetate;hydrochloride
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tert-butyl 2-(methylamino)acetate;hydron;chloride
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tert-butyl 2-(2-cyclopropylpropan-2-ylamino)acetate
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tert-butyl 2-(methylamino)acetate;2-(methylamino)acetic acid
CID 165001010
tert-butyl 2-(2-methylsulfanylpropan-2-ylamino)acetate
CID 146252161
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
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CID 91827792

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methanesulfinamido)acetate?
The IUPAC name of tert-butyl 2-(methanesulfinamido)acetate (CID 143068287) is tert-butyl 2-(methanesulfinamido)acetate.
What is the SMILES notation for tert-butyl 2-(methanesulfinamido)acetate?
The canonical SMILES for tert-butyl 2-(methanesulfinamido)acetate is CS(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methanesulfinamido)acetate?
The InChIKey is FFSKKYDFKOAAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2,3)11-6(9)5-8-12(4)10/h8H,5H2,1-4H3.
What are the key properties of tert-butyl 2-(methanesulfinamido)acetate?
tert-butyl 2-(methanesulfinamido)acetate has a molecular weight of 193.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methanesulfinamido)acetate is sourced from PubChem (CID 143068287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).