1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine

C15H23NO2S — CID 62881944

IUPAC1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO2S/c1-2-16-15(14-10-11-19(17,18)12-14)9-8-13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3
InChIKeyRJKDXUWGOBOVQE-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.03
Rot. Bonds6

About 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine

1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine (PubChem CID 62881944) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine
PubChem CID62881944
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine
SMILESCCNC(CCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H23NO2S/c1-2-16-15(14-10-11-19(17,18)12-14)9-8-13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3
InChIKeyRJKDXUWGOBOVQE-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 55128835
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-nitrophenyl)ethanamine
CID 64904556
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 64905384
1-(1,1-dioxothian-3-yl)-N-ethylbutan-1-amine
CID 83050384
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
1-(1,1-dioxothiolan-3-yl)-N-ethylhex-5-en-1-amine
CID 115336846
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylpentan-1-amine
CID 115336853
N-[(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 79978095
2-(1,1-dioxothiolan-3-yl)-6-phenylhexanoic acid
CID 114334150
2-(5-chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-ethylethanamine
CID 103049013
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115336880
N-ethyl-1-(4-ethylcyclohexyl)-4-phenylbutan-1-amine
CID 65394984

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine (CID 62881944) is 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine is CCNC(CCc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine?
The InChIKey is RJKDXUWGOBOVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-16-15(14-10-11-19(17,18)12-14)9-8-13-6-4-3-5-7-13/h3-7,14-16H,2,8-12H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine?
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine is sourced from PubChem (CID 62881944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).