2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

C11H23NO2S — CID 79381599

IUPAC2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2,3)15-7-9(13)12(6)8-11(4,5)14/h14H,7-8H2,1-6H3
InChIKeyPNEXQHJMMCPWJI-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.75
Rot. Bonds4

About 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 79381599) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID79381599
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCN(CC(C)(C)O)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2,3)15-7-9(13)12(6)8-11(4,5)14/h14H,7-8H2,1-6H3
InChIKeyPNEXQHJMMCPWJI-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (CID 79381599) is 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is CN(CC(C)(C)O)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is PNEXQHJMMCPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,3)15-7-9(13)12(6)8-11(4,5)14/h14H,7-8H2,1-6H3.
What are the key properties of 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 233.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 79381599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).