N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide

C10H14N2O2S — CID 3260207

IUPACN-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(O)CNC(=O)CSc1ccccn1
InChIInChI=1S/C10H14N2O2S/c1-8(13)6-12-9(14)7-15-10-4-2-3-5-11-10/h2-5,8,13H,6-7H2,1H3,(H,12,14)
InChIKeyZXMNLCVEVIJPTR-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.67
Rot. Bonds5

About N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide

N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 3260207) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID3260207
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide
SMILESCC(O)CNC(=O)CSc1ccccn1
InChIInChI=1S/C10H14N2O2S/c1-8(13)6-12-9(14)7-15-10-4-2-3-5-11-10/h2-5,8,13H,6-7H2,1H3,(H,12,14)
InChIKeyZXMNLCVEVIJPTR-UHFFFAOYSA-N
XLogP0.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N'-acetyl-2-pyridin-2-ylsulfanylacetohydrazide
CID 37063876
2-pyridin-2-ylsulfanyl-N-tetradecylacetamide
CID 2802554
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-carbamoyl-2-pyridin-2-ylsulfanylacetamide
CID 5147544
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-[(2R)-2-hydroxypropyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 40558768
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347617
methyl (2R,3S)-3-methyl-2-[(2-pyridin-2-ylsulfanylacetyl)amino]pentanoate
CID 9347438
N-[2-[(2R)-butan-2-yl]phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 8813692

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide (CID 3260207) is N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide is CC(O)CNC(=O)CSc1ccccn1.
What is the InChIKey of N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is ZXMNLCVEVIJPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-8(13)6-12-9(14)7-15-10-4-2-3-5-11-10/h2-5,8,13H,6-7H2,1H3,(H,12,14).
What are the key properties of N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide?
N-(2-hydroxypropyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 226.30 g/mol, XLogP of 0.67, 5 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-ylsulfanylacetamide is sourced from PubChem (CID 3260207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).