2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C11H23NO2S — CID 43572975

IUPAC2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)12(6-7-13)10(14)8-15-11(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyUORMNZVXHVMZQS-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.75
Rot. Bonds5

About 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43572975) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43572975
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)12(6-7-13)10(14)8-15-11(3,4)5/h9,13H,6-8H2,1-5H3
InChIKeyUORMNZVXHVMZQS-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43572975) is 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is UORMNZVXHVMZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)12(6-7-13)10(14)8-15-11(3,4)5/h9,13H,6-8H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-tert-butylsulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 233.38 g/mol, XLogP of 1.75, 5 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-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).