N-ethyl-2-hydroxy-3-methylsulfanylpropanamide

C6H13NO2S — CID 123242188

IUPACN-ethyl-2-hydroxy-3-methylsulfanylpropanamide
SMILESCCNC(=O)C(O)CSC
InChIInChI=1S/C6H13NO2S/c1-3-7-6(9)5(8)4-10-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyVFOQGRYPDUSZTP-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.15
Rot. Bonds4

About N-ethyl-2-hydroxy-3-methylsulfanylpropanamide

N-ethyl-2-hydroxy-3-methylsulfanylpropanamide (PubChem CID 123242188) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-methylsulfanylpropanamide
PubChem CID123242188
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethyl-2-hydroxy-3-methylsulfanylpropanamide
SMILESCCNC(=O)C(O)CSC
InChIInChI=1S/C6H13NO2S/c1-3-7-6(9)5(8)4-10-2/h5,8H,3-4H2,1-2H3,(H,7,9)
InChIKeyVFOQGRYPDUSZTP-UHFFFAOYSA-N
XLogP-0.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

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CID 9860990
Entadamide B
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2-hydroxy-N-methyl-4-(methylsulfanyl)butanamide
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(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide
CID 162977129
2-hydroxy-N-(2-methoxyethyl)-4-(methylsulfanyl)butanamide
CID 165782658
2-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723390
3-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726229
N-(3,3-difluoro-2-hydroxypropyl)-3-methylsulfanylpropanamide
CID 103769619
N-(3,3-difluoro-2-hydroxypropyl)-2-methylsulfanylacetamide
CID 103769753
2-hydroxy-N-(2-sulfanylethyl)propanamide
CID 9793845
N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 15123541
N-(2-hydroxypropyl)-2-sulfanylpropanamide
CID 17958473

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-3-methylsulfanylpropanamide?
The IUPAC name of N-ethyl-2-hydroxy-3-methylsulfanylpropanamide (CID 123242188) is N-ethyl-2-hydroxy-3-methylsulfanylpropanamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-methylsulfanylpropanamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-methylsulfanylpropanamide is CCNC(=O)C(O)CSC.
What is the InChIKey of N-ethyl-2-hydroxy-3-methylsulfanylpropanamide?
The InChIKey is VFOQGRYPDUSZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-7-6(9)5(8)4-10-2/h5,8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-ethyl-2-hydroxy-3-methylsulfanylpropanamide?
N-ethyl-2-hydroxy-3-methylsulfanylpropanamide has a molecular weight of 163.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-methylsulfanylpropanamide is sourced from PubChem (CID 123242188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).