2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide

C12H18N2O2S — CID 124753809

IUPAC2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
SMILESCCSCC(=O)NC[C@@H](C)Oc1cccnc1
InChIInChI=1S/C12H18N2O2S/c1-3-17-9-12(15)14-7-10(2)16-11-5-4-6-13-8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyMRFFTWRBNCXDBQ-SNVBAGLBSA-N
MW254.35 g/mol
LogP1.72
Rot. Bonds7

About 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide

2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide (PubChem CID 124753809) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
PubChem CID124753809
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
SMILESCCSCC(=O)NC[C@@H](C)Oc1cccnc1
InChIInChI=1S/C12H18N2O2S/c1-3-17-9-12(15)14-7-10(2)16-11-5-4-6-13-8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyMRFFTWRBNCXDBQ-SNVBAGLBSA-N
XLogP1.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
CID 91766713
N-(2-pyridin-3-yloxypropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 135099380
N'-(2-propan-2-ylphenyl)-N-(2-pyridin-3-yloxypropyl)butanediamide
CID 46997457
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
N-pyrazin-2-yl-2-[[(2S)-2-pyridin-3-yloxypropyl]amino]acetamide
CID 95131886
N-[(2R)-2-pyridin-3-yloxypropyl]pentan-3-amine
CID 94497598
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2-pyridin-3-yloxypropyl)acetamide
CID 135114402
N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
N-(2-pyridin-3-yloxypropyl)pentan-2-amine
CID 62583825
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide?
The IUPAC name of 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide (CID 124753809) is 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide is CCSCC(=O)NC[C@@H](C)Oc1cccnc1.
What is the InChIKey of 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide?
The InChIKey is MRFFTWRBNCXDBQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-17-9-12(15)14-7-10(2)16-11-5-4-6-13-8-11/h4-6,8,10H,3,7,9H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide?
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide has a molecular weight of 254.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide is sourced from PubChem (CID 124753809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).