(2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide

C7H15NO2S — CID 89088706

IUPAC(2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide
SMILESCC[C@@H](O)C(=O)NCCSC
InChIInChI=1S/C7H15NO2S/c1-3-6(9)7(10)8-4-5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyMOKUCZPGDSZPDU-ZCFIWIBFSA-N
MW177.27 g/mol
LogP0.24
Rot. Bonds5

About (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide

(2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide (PubChem CID 89088706) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide
PubChem CID89088706
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide
SMILESCC[C@@H](O)C(=O)NCCSC
InChIInChI=1S/C7H15NO2S/c1-3-6(9)7(10)8-4-5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1
InChIKeyMOKUCZPGDSZPDU-ZCFIWIBFSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-methyl-4-(methylsulfanyl)butanamide
CID 10329617
(2R)-3-amino-2-hydroxy-N-[2-[(S)-methylsulfinyl]ethyl]propanamide
CID 162977129
2-hydroxy-N-(2-methoxyethyl)-4-(methylsulfanyl)butanamide
CID 165782658
2-hydroxy-N-(2-sulfanylethyl)propanamide
CID 9793845
N-(2-hydroxypropyl)-2-sulfanylpropanamide
CID 17958473
N-ethyl-2-hydroxybutanamide
CID 21650538
2-hydroxy-N-propylbutanamide
CID 21650539
N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 43388912
2-hydroxy-N-(2-methylsulfanylethyl)acetamide
CID 57029055
(2S)-2-hydroxy-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 57751218
(2R)-2-hydroxy-N-(2-methylsulfanylethyl)propanamide
CID 57939546
N-ethyl-2-hydroxy-3-sulfanylpropanamide
CID 86078396

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide?
The IUPAC name of (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide (CID 89088706) is (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide?
The canonical SMILES for (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide is CC[C@@H](O)C(=O)NCCSC.
What is the InChIKey of (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide?
The InChIKey is MOKUCZPGDSZPDU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-6(9)7(10)8-4-5-11-2/h6,9H,3-5H2,1-2H3,(H,8,10)/t6-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide?
(2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide has a molecular weight of 177.27 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(2-methylsulfanylethyl)butanamide is sourced from PubChem (CID 89088706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).