N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide

C11H16N2O2S — CID 65032260

IUPACN-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCC(CO)CNC(=O)CSc1ccncc1
InChIInChI=1S/C11H16N2O2S/c1-9(7-14)6-13-11(15)8-16-10-2-4-12-5-3-10/h2-5,9,14H,6-8H2,1H3,(H,13,15)
InChIKeyGKEBFNFCRKFFSZ-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.92
Rot. Bonds6

About N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide

N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide (PubChem CID 65032260) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
PubChem CID65032260
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide
SMILESCC(CO)CNC(=O)CSc1ccncc1
InChIInChI=1S/C11H16N2O2S/c1-9(7-14)6-13-11(15)8-16-10-2-4-12-5-3-10/h2-5,9,14H,6-8H2,1H3,(H,13,15)
InChIKeyGKEBFNFCRKFFSZ-UHFFFAOYSA-N
XLogP0.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]butanoic acid
CID 65220146
N-[(2R)-2-(ethylamino)propyl]-2-pyridin-4-ylsulfanylacetamide;hydrochloride
CID 120650682
(3S)-5-methyl-3-[[(2-pyridin-4-ylsulfanylacetyl)amino]methyl]hexanoic acid
CID 65493692
(2S)-2-[(2-pyridin-4-ylsulfanylacetyl)amino]propanoic acid
CID 61131663
N-(1-hydroxy-3-methylbutan-2-yl)-2-pyridin-4-ylsulfanylacetamide
CID 79255664
N-(4-hydroxy-2-methylbutyl)-2-phenylsulfanylacetamide
CID 66107710
N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-(2-methylprop-2-enyl)-2-pyridin-4-ylsulfanylacetamide
CID 114618823
N-[(2S)-butan-2-yl]-2-pyridin-4-ylsulfanylacetamide
CID 94102095
N-(2-ethyl-2-hydroxybutyl)-2-pyridin-4-ylsulfanylacetamide
CID 65112733
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-[2-methyl-3-(methylamino)propyl]-2-phenylsulfanylacetamide
CID 81479553

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide (CID 65032260) is N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide is CC(CO)CNC(=O)CSc1ccncc1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is GKEBFNFCRKFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9(7-14)6-13-11(15)8-16-10-2-4-12-5-3-10/h2-5,9,14H,6-8H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide?
N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 240.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 65032260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).