2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide

C11H19N3O2S — CID 86284808

IUPAC2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-8-6-12-10(13-8)7-14(2)11(16)9(15)4-5-17-3/h6,9,15H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyQGLDQSOUMIPDQU-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.79
Rot. Bonds6

About 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide

2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide (PubChem CID 86284808) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide
PubChem CID86284808
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCCC(O)C(=O)N(C)Cc1ncc(C)[nH]1
InChIInChI=1S/C11H19N3O2S/c1-8-6-12-10(13-8)7-14(2)11(16)9(15)4-5-17-3/h6,9,15H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyQGLDQSOUMIPDQU-UHFFFAOYSA-N
XLogP0.79
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide (CID 86284808) is 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide is CSCCC(O)C(=O)N(C)Cc1ncc(C)[nH]1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is QGLDQSOUMIPDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-6-12-10(13-8)7-14(2)11(16)9(15)4-5-17-3/h6,9,15H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide?
2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 257.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 86284808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).