N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide

C11H17N3O2S — CID 120705250

IUPACN-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(CSCCO)ccn1
InChIInChI=1S/C11H17N3O2S/c1-12-7-11(16)14-10-6-9(2-3-13-10)8-17-5-4-15/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyUZIBPCHCQYIAGZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.47
Rot. Bonds7

About N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide

N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide (PubChem CID 120705250) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide
PubChem CID120705250
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1cc(CSCCO)ccn1
InChIInChI=1S/C11H17N3O2S/c1-12-7-11(16)14-10-6-9(2-3-13-10)8-17-5-4-15/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyUZIBPCHCQYIAGZ-UHFFFAOYSA-N
XLogP0.47
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide (CID 120705250) is N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide is CNCC(=O)Nc1cc(CSCCO)ccn1.
What is the InChIKey of N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide?
The InChIKey is UZIBPCHCQYIAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-12-7-11(16)14-10-6-9(2-3-13-10)8-17-5-4-15/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,13,14,16).
What are the key properties of N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide?
N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethylsulfanylmethyl)-2-pyridinyl]-2-(methylamino)acetamide is sourced from PubChem (CID 120705250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).