1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine

C14H22N2O2S — CID 105168878

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
SMILESCCc1ccc(CC(N)CC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C14H22N2O2S/c1-2-11-3-4-14(16-9-11)8-13(15)7-12-5-6-19(17,18)10-12/h3-4,9,12-13H,2,5-8,10,15H2,1H3
InChIKeyOIAHYSORHLASGR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.34
Rot. Bonds5

About 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine

1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine (PubChem CID 105168878) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
PubChem CID105168878
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine
SMILESCCc1ccc(CC(N)CC2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C14H22N2O2S/c1-2-11-3-4-14(16-9-11)8-13(15)7-12-5-6-19(17,18)10-12/h3-4,9,12-13H,2,5-8,10,15H2,1H3
InChIKeyOIAHYSORHLASGR-UHFFFAOYSA-N
XLogP1.34
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105292845
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)-N-methylethanamine
CID 105121790
1-(5-ethyl-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 79748287
1-(1,1-dioxothiolan-3-yl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 105160379
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107411
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
CID 105171707
1-(5-ethyl-2-pyridinyl)-4-methylsulfanylbutan-2-amine
CID 105169001
1-(5-ethyl-2-pyridinyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 79748691
1-(2,3-difluorophenyl)-3-(1,1-dioxothiolan-3-yl)propan-2-amine
CID 105137706
1-(1,1-dioxothiolan-3-yl)dodecan-2-amine
CID 105138148

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine (CID 105168878) is 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine is CCc1ccc(CC(N)CC2CCS(=O)(=O)C2)nc1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
The InChIKey is OIAHYSORHLASGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-11-3-4-14(16-9-11)8-13(15)7-12-5-6-19(17,18)10-12/h3-4,9,12-13H,2,5-8,10,15H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine?
1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine has a molecular weight of 282.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(5-ethyl-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 105168878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).