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

C14H21NO2S — CID 55128835

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO2S/c1-15-14(13-9-10-18(16,17)11-13)8-7-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3
InChIKeyDWRHRIODQILBLG-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.64
Rot. Bonds5

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

1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 55128835) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID55128835
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H21NO2S/c1-15-14(13-9-10-18(16,17)11-13)8-7-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3
InChIKeyDWRHRIODQILBLG-UHFFFAOYSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-phenylpropan-1-amine
CID 62881944
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011871
[1-(1,1-dioxothiolan-3-yl)-2-phenylethyl]hydrazine
CID 105258752
1-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115336770
4-[2-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethyl]phenol
CID 115336672
2-(1,1-dioxothiolan-3-yl)-6-phenylhexanoic acid
CID 114334150
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
1-(1,1-dioxothiolan-3-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794224
1-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methylindazol-3-yl)ethanamine
CID 115336622
4-cyclopropyl-N-methyl-1-phenylpentan-3-amine
CID 115794259
2-(5-chloro-2-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 103049012
2-(2,5-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylethanamine
CID 115336742

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine (CID 55128835) is 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is DWRHRIODQILBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-15-14(13-9-10-18(16,17)11-13)8-7-12-5-3-2-4-6-12/h2-6,13-15H,7-11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine?
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 1.64, 5 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-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 55128835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).