N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

C11H16N2O2S — CID 110901648

IUPACN-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(O)CNC(=O)CSCc1ccccn1
InChIInChI=1S/C11H16N2O2S/c1-9(14)6-13-11(15)8-16-7-10-4-2-3-5-12-10/h2-5,9,14H,6-8H2,1H3,(H,13,15)
InChIKeySLHVJENGCXVURR-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.81
Rot. Bonds6

About N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 110901648) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID110901648
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESCC(O)CNC(=O)CSCc1ccccn1
InChIInChI=1S/C11H16N2O2S/c1-9(14)6-13-11(15)8-16-7-10-4-2-3-5-12-10/h2-5,9,14H,6-8H2,1H3,(H,13,15)
InChIKeySLHVJENGCXVURR-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111484028
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
CID 3260207
N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
CID 51085850
N-[2-(methylamino)propyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide;dihydrochloride
CID 120831636
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55929746
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55966889
N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 51095218
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 119518141
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 110901648) is N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is CC(O)CNC(=O)CSCc1ccccn1.
What is the InChIKey of N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is SLHVJENGCXVURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9(14)6-13-11(15)8-16-7-10-4-2-3-5-12-10/h2-5,9,14H,6-8H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 240.33 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 110901648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).