2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

C12H25NO2S — CID 79381845

IUPAC2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CSC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-7-13(9-12(5,6)15)10(14)8-16-11(2,3)4/h15H,7-9H2,1-6H3
InChIKeyHTPJDPBBGOBQJH-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.14
Rot. Bonds5

About 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide

2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 79381845) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID79381845
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CSC(C)(C)C
InChIInChI=1S/C12H25NO2S/c1-7-13(9-12(5,6)15)10(14)8-16-11(2,3)4/h15H,7-9H2,1-6H3
InChIKeyHTPJDPBBGOBQJH-UHFFFAOYSA-N
XLogP2.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.14
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-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide (CID 79381845) is 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is CCN(CC(C)(C)O)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is HTPJDPBBGOBQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-7-13(9-12(5,6)15)10(14)8-16-11(2,3)4/h15H,7-9H2,1-6H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide?
2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 247.40 g/mol, XLogP of 2.14, 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-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 79381845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).