N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride

C10H15ClN2OS — CID 67868235

IUPACN-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride
SMILESCCCSc1cccnc1NC(C)=O.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-3-7-14-9-5-4-6-11-10(9)12-8(2)13;/h4-6H,3,7H2,1-2H3,(H,11,12,13);1H
InChIKeyOLHPMOLJFHXJSG-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.96
Rot. Bonds4

About N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride

N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride (PubChem CID 67868235) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride
PubChem CID67868235
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC NameN-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride
SMILESCCCSc1cccnc1NC(C)=O.Cl
InChIInChI=1S/C10H14N2OS.ClH/c1-3-7-14-9-5-4-6-11-10(9)12-8(2)13;/h4-6H,3,7H2,1-2H3,(H,11,12,13);1H
InChIKeyOLHPMOLJFHXJSG-UHFFFAOYSA-N
XLogP2.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride?
The IUPAC name of N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride (CID 67868235) is N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride?
The canonical SMILES for N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride is CCCSc1cccnc1NC(C)=O.Cl.
What is the InChIKey of N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride?
The InChIKey is OLHPMOLJFHXJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS.ClH/c1-3-7-14-9-5-4-6-11-10(9)12-8(2)13;/h4-6H,3,7H2,1-2H3,(H,11,12,13);1H.
What are the key properties of N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride?
N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride has a molecular weight of 246.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylsulfanyl-2-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 67868235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).