1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one

C14H22N2OS — CID 112584005

IUPAC1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(SCCN(CC)CC)cn1
InChIInChI=1S/C14H22N2OS/c1-4-14(17)13-8-7-12(11-15-13)18-10-9-16(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyQGWYZKOAHHTKDX-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.11
Rot. Bonds8

About 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one

1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one (PubChem CID 112584005) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one
PubChem CID112584005
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(SCCN(CC)CC)cn1
InChIInChI=1S/C14H22N2OS/c1-4-14(17)13-8-7-12(11-15-13)18-10-9-16(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyQGWYZKOAHHTKDX-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-propylsulfanyl-2-pyridinyl)propan-1-one
CID 112583931
1-(5-methylsulfanyl-2-pyridinyl)propan-1-one
CID 68711933
1-[5-(3-hydroxy-2-methylpropyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112584006
1-(5-phenylsulfanyl-2-pyridinyl)propan-1-one
CID 112583933
(1R)-1-[4-[2-(diethylamino)ethylsulfanyl]phenyl]ethanol
CID 79014025
1-(5-pentylsulfanyl-2-pyridinyl)ethanone
CID 107750438
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)-2-pyridinyl]propan-1-one
CID 112583937
1-[5-(2-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-one
CID 112583940
4-(5-tert-butylsulfanyl-2-pyridinyl)-4-oxobutanoic acid
CID 158861736

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one (CID 112584005) is 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(SCCN(CC)CC)cn1.
What is the InChIKey of 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one?
The InChIKey is QGWYZKOAHHTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-14(17)13-8-7-12(11-15-13)18-10-9-16(5-2)6-3/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one?
1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one has a molecular weight of 266.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(diethylamino)ethylsulfanyl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112584005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).