2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine

C15H18N2O2S — CID 105172342

IUPAC2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
SMILESNC(CC1CCS(=O)(=O)C1)c1ccc2ncccc2c1
InChIInChI=1S/C15H18N2O2S/c16-14(8-11-5-7-20(18,19)10-11)12-3-4-15-13(9-12)2-1-6-17-15/h1-4,6,9,11,14H,5,7-8,10,16H2
InChIKeyDEQRYXYKIVJQCM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.06
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine

2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine (PubChem CID 105172342) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
PubChem CID105172342
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine
SMILESNC(CC1CCS(=O)(=O)C1)c1ccc2ncccc2c1
InChIInChI=1S/C15H18N2O2S/c16-14(8-11-5-7-20(18,19)10-11)12-3-4-15-13(9-12)2-1-6-17-15/h1-4,6,9,11,14H,5,7-8,10,16H2
InChIKeyDEQRYXYKIVJQCM-UHFFFAOYSA-N
XLogP2.06
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-1-quinolin-7-ylethanol
CID 105118989
2-(oxolan-3-yl)-1-quinolin-6-ylethanamine
CID 103986818
[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
CID 105286909
2-(3-ethoxycyclobutyl)-1-quinolin-6-ylethanamine
CID 103169273
2-(1,1-dioxothiolan-3-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 105144795
cyclopropyl(quinolin-6-yl)methanamine
CID 55273103
1-quinolin-7-yl-2-(thian-4-yl)ethanamine
CID 105172620
2-cycloheptyl-1-quinolin-6-ylethanol
CID 115826801
1-quinolin-6-ylbutan-1-amine
CID 63095616
2-(1,1-dioxothiolan-3-yl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 105145834
3-amino-3-quinolin-6-ylpropanenitrile
CID 55273076
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine (CID 105172342) is 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine is NC(CC1CCS(=O)(=O)C1)c1ccc2ncccc2c1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine?
The InChIKey is DEQRYXYKIVJQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-14(8-11-5-7-20(18,19)10-11)12-3-4-15-13(9-12)2-1-6-17-15/h1-4,6,9,11,14H,5,7-8,10,16H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine?
2-(1,1-dioxothiolan-3-yl)-1-quinolin-6-ylethanamine has a molecular weight of 290.39 g/mol, XLogP of 2.06, 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-quinolin-6-ylethanamine is sourced from PubChem (CID 105172342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).