N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine

C14H17FN2O2S — CID 82793032

IUPACN-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCn2ccc3c(F)cccc32)C1
InChIInChI=1S/C14H17FN2O2S/c15-13-2-1-3-14-12(13)4-7-17(14)8-6-16-11-5-9-20(18,19)10-11/h1-4,7,11,16H,5-6,8-10H2
InChIKeyOLDZHKSQLFHVNG-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine

N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 82793032) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID82793032
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCn2ccc3c(F)cccc32)C1
InChIInChI=1S/C14H17FN2O2S/c15-13-2-1-3-14-12(13)4-7-17(14)8-6-16-11-5-9-20(18,19)10-11/h1-4,7,11,16H,5-6,8-10H2
InChIKeyOLDZHKSQLFHVNG-UHFFFAOYSA-N
XLogP1.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-chloroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62563402
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyrimidin-2-one
CID 62563290
N-[3-(benzimidazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 60708513
N-(3-indol-1-ylpropyl)-1,1-dioxothian-3-amine
CID 63910668
5-bromo-1-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridin-2-one
CID 62562815
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethyl]pyridazin-3-one
CID 62849985
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855
N-[2-(4-fluoroindol-1-yl)ethyl]-3-methylbutan-2-amine
CID 82793034
N-[2-(4-fluoroindol-1-yl)ethyl]butan-1-amine
CID 82791993
2-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997638
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 82793032) is N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCCn2ccc3c(F)cccc32)C1.
What is the InChIKey of N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is OLDZHKSQLFHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c15-13-2-1-3-14-12(13)4-7-17(14)8-6-16-11-5-9-20(18,19)10-11/h1-4,7,11,16H,5-6,8-10H2.
What are the key properties of N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 296.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroindol-1-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 82793032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).