2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine

C12H18N2O2S — CID 105164207

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O2S/c1-9-2-4-14-7-11(9)12(13)6-10-3-5-17(15,16)8-10/h2,4,7,10,12H,3,5-6,8,13H2,1H3
InChIKeyFRJWFMALSCHBBT-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.21
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine

2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 105164207) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID105164207
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)CC1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O2S/c1-9-2-4-14-7-11(9)12(13)6-10-3-5-17(15,16)8-10/h2,4,7,10,12H,3,5-6,8,13H2,1H3
InChIKeyFRJWFMALSCHBBT-UHFFFAOYSA-N
XLogP1.21
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 105120200
2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105148582
2-(1,1-dioxothiolan-3-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758164
2-(1,1-dioxothiolan-3-yl)-1-(3-ethyltriazol-4-yl)ethanamine
CID 114213581
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 105179040
2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 105144795
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 105186241
[1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105292536
2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178630
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 106764537
[2-(1,1-dioxothiolan-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105302170
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 105164207) is 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)CC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is FRJWFMALSCHBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-2-4-14-7-11(9)12(13)6-10-3-5-17(15,16)8-10/h2,4,7,10,12H,3,5-6,8,13H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 254.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105164207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).