N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

C6H13NO2S — CID 43388912

IUPACN-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCO
InChIInChI=1S/C6H13NO2S/c1-10-5-2-6(9)7-3-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyBTVJPFAGOJLENG-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.15
Rot. Bonds5

About N-(2-hydroxyethyl)-3-methylsulfanylpropanamide

N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (PubChem CID 43388912) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methylsulfanylpropanamide
PubChem CID43388912
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(2-hydroxyethyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCO
InChIInChI=1S/C6H13NO2S/c1-10-5-2-6(9)7-3-4-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyBTVJPFAGOJLENG-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methylsulfanylpropanamide (CID 43388912) is N-(2-hydroxyethyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is CSCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
The InChIKey is BTVJPFAGOJLENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-10-5-2-6(9)7-3-4-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of N-(2-hydroxyethyl)-3-methylsulfanylpropanamide?
N-(2-hydroxyethyl)-3-methylsulfanylpropanamide has a molecular weight of 163.24 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 43388912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).