methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate

C10H21NO2S — CID 54112019

IUPACmethyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate
SMILESCOC(=O)C(C)(N(C)C)C(C)(C)SC
InChIInChI=1S/C10H21NO2S/c1-9(2,14-7)10(3,11(4)5)8(12)13-6/h1-7H3
InChIKeyNHTUSINWLYWZJH-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.62
Rot. Bonds4

About methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate

methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate (PubChem CID 54112019) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate
PubChem CID54112019
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate
SMILESCOC(=O)C(C)(N(C)C)C(C)(C)SC
InChIInChI=1S/C10H21NO2S/c1-9(2,14-7)10(3,11(4)5)8(12)13-6/h1-7H3
InChIKeyNHTUSINWLYWZJH-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate?
The IUPAC name of methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate (CID 54112019) is methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate.
What is the SMILES notation for methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate?
The canonical SMILES for methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate is COC(=O)C(C)(N(C)C)C(C)(C)SC.
What is the InChIKey of methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate?
The InChIKey is NHTUSINWLYWZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(2,14-7)10(3,11(4)5)8(12)13-6/h1-7H3.
What are the key properties of methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate?
methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate has a molecular weight of 219.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2,3-dimethyl-3-methylsulfanylbutanoate is sourced from PubChem (CID 54112019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).