2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine

C15H23NO2S — CID 105144795

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H23NO2S/c1-11(2)13-3-5-14(6-4-13)15(16)9-12-7-8-19(17,18)10-12/h3-6,11-12,15H,7-10,16H2,1-2H3
InChIKeyUVIRQYSUCKQOMA-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.63
Rot. Bonds4

About 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine

2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 105144795) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID105144795
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C15H23NO2S/c1-11(2)13-3-5-14(6-4-13)15(16)9-12-7-8-19(17,18)10-12/h3-6,11-12,15H,7-10,16H2,1-2H3
InChIKeyUVIRQYSUCKQOMA-UHFFFAOYSA-N
XLogP2.63
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)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

2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
CID 105172342
1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 105120200
2-(1,1-dioxothiolan-3-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 105164207
2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105148582
2-(1,1-dioxothiolan-3-yl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 105145834
[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105292845
2-(1,1-dioxothiolan-3-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 102758164
N'-[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]-4-propan-2-ylbenzohydrazide
CID 8938663
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)ethanamine
CID 106764537
2-(1,1-dioxothiolan-3-yl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178630
2-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 105179040

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine (CID 105144795) is 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)CC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is UVIRQYSUCKQOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(2)13-3-5-14(6-4-13)15(16)9-12-7-8-19(17,18)10-12/h3-6,11-12,15H,7-10,16H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 105144795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).