N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide

C8H17NO2S — CID 148566298

IUPACN-ethyl-2-(2-hydroxybutylsulfanyl)acetamide
SMILESCCNC(=O)CSCC(O)CC
InChIInChI=1S/C8H17NO2S/c1-3-7(10)5-12-6-8(11)9-4-2/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyMVZLEBQMXNUEEW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.63
Rot. Bonds6

About N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide

N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide (PubChem CID 148566298) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydroxybutylsulfanyl)acetamide
PubChem CID148566298
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-ethyl-2-(2-hydroxybutylsulfanyl)acetamide
SMILESCCNC(=O)CSCC(O)CC
InChIInChI=1S/C8H17NO2S/c1-3-7(10)5-12-6-8(11)9-4-2/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyMVZLEBQMXNUEEW-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide?
The IUPAC name of N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide (CID 148566298) is N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide is CCNC(=O)CSCC(O)CC.
What is the InChIKey of N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide?
The InChIKey is MVZLEBQMXNUEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-7(10)5-12-6-8(11)9-4-2/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide?
N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide has a molecular weight of 191.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydroxybutylsulfanyl)acetamide is sourced from PubChem (CID 148566298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).