2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide

C10H21NO2S — CID 60740803

IUPAC2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-11(6-7-12)9(13)8-14-10(2,3)4/h12H,5-8H2,1-4H3
InChIKeyBKMUSFACPLYQKZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds5

About 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide

2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 60740803) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID60740803
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CSC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-11(6-7-12)9(13)8-14-10(2,3)4/h12H,5-8H2,1-4H3
InChIKeyBKMUSFACPLYQKZ-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
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-hydroxyethyl)acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 60740803) is 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is BKMUSFACPLYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-11(6-7-12)9(13)8-14-10(2,3)4/h12H,5-8H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-tert-butylsulfanyl-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 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-hydroxyethyl)acetamide is sourced from PubChem (CID 60740803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).