ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate

C8H17NO2S — CID 143803336

IUPACethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)SN(C)C
InChIInChI=1S/C8H17NO2S/c1-6-11-7(10)8(2,3)12-9(4)5/h6H2,1-5H3
InChIKeyOQRNDJFATZPYAI-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.54
Rot. Bonds4

About ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate

ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate (PubChem CID 143803336) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate
PubChem CID143803336
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Nameethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)SN(C)C
InChIInChI=1S/C8H17NO2S/c1-6-11-7(10)8(2,3)12-9(4)5/h6H2,1-5H3
InChIKeyOQRNDJFATZPYAI-UHFFFAOYSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate (CID 143803336) is ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate is CCOC(=O)C(C)(C)SN(C)C.
What is the InChIKey of ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate?
The InChIKey is OQRNDJFATZPYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-6-11-7(10)8(2,3)12-9(4)5/h6H2,1-5H3.
What are the key properties of ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate?
ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate has a molecular weight of 191.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylaminosulfanyl)-2-methylpropanoate is sourced from PubChem (CID 143803336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).