2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate

C10H20N2O4S2 — CID 139298024

IUPAC2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate
SMILESCC(C)OC(=O)CN(C)CCS(=S)OC(=O)CN
InChIInChI=1S/C10H20N2O4S2/c1-8(2)15-10(14)7-12(3)4-5-18(17)16-9(13)6-11/h8H,4-7,11H2,1-3H3
InChIKeyCJPHZCKBXUIBAG-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.63
Rot. Bonds8

About 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate

2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate (PubChem CID 139298024) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate
PubChem CID139298024
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate
SMILESCC(C)OC(=O)CN(C)CCS(=S)OC(=O)CN
InChIInChI=1S/C10H20N2O4S2/c1-8(2)15-10(14)7-12(3)4-5-18(17)16-9(13)6-11/h8H,4-7,11H2,1-3H3
InChIKeyCJPHZCKBXUIBAG-UHFFFAOYSA-N
XLogP-0.63
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate?
The IUPAC name of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate (CID 139298024) is 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate.
What is the SMILES notation for 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate?
The canonical SMILES for 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate is CC(C)OC(=O)CN(C)CCS(=S)OC(=O)CN.
What is the InChIKey of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate?
The InChIKey is CJPHZCKBXUIBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-8(2)15-10(14)7-12(3)4-5-18(17)16-9(13)6-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate?
2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate has a molecular weight of 296.41 g/mol, XLogP of -0.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-propan-2-yloxyethyl)amino]ethylsulfinothioyl 2-aminoacetate is sourced from PubChem (CID 139298024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).