N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide

C10H21NO2S — CID 177087509

IUPACN-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide
SMILESCC(=O)N(CCSCCO)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(13)11(10(2,3)4)5-7-14-8-6-12/h12H,5-8H2,1-4H3
InChIKeyZZATWNMUUIUSND-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds5

About N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide

N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide (PubChem CID 177087509) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide
PubChem CID177087509
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide
SMILESCC(=O)N(CCSCCO)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-9(13)11(10(2,3)4)5-7-14-8-6-12/h12H,5-8H2,1-4H3
InChIKeyZZATWNMUUIUSND-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide (CID 177087509) is N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide is CC(=O)N(CCSCCO)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
The InChIKey is ZZATWNMUUIUSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-9(13)11(10(2,3)4)5-7-14-8-6-12/h12H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide?
N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]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 N-tert-butyl-N-[2-(2-hydroxyethylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 177087509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).