[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine

C15H22N2O2S — CID 63923441

IUPAC[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine
SMILESNCC1(N2CCCc3ccccc32)CCCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O2S/c16-11-15(8-4-10-20(18,19)12-15)17-9-3-6-13-5-1-2-7-14(13)17/h1-2,5,7H,3-4,6,8-12,16H2
InChIKeyMGMGIYJDXQSYNP-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.35
Rot. Bonds2

About [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine

[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine (PubChem CID 63923441) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine
PubChem CID63923441
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine
SMILESNCC1(N2CCCc3ccccc32)CCCS(=O)(=O)C1
InChIInChI=1S/C15H22N2O2S/c16-11-15(8-4-10-20(18,19)12-15)17-9-3-6-13-5-1-2-7-14(13)17/h1-2,5,7H,3-4,6,8-12,16H2
InChIKeyMGMGIYJDXQSYNP-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylcyclohexyl]methanamine
CID 64753229
[4-(2,3-dihydroindol-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078746
[4-(2,3-dihydroindol-1-yl)-1-propylazepan-4-yl]methanamine
CID 65078795
[1-(2,3-dihydroindol-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755891
[1-cyclopropyl-3-(2,3-dihydroindol-1-yl)pyrrolidin-3-yl]methanamine
CID 62977112
[3-(8-azaspiro[4.5]decan-8-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923648
[1-(3,4-dihydro-2H-quinolin-1-ylmethyl)cyclopentyl]methanamine
CID 55051906
[1-(2,3-dihydroindol-1-yl)-3-methylcyclopentyl]methanamine
CID 64501563
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)cyclobutyl]methanamine
CID 79521524
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 65319426
[3-(4-cyclopropylpiperazin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63923838
[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63921849

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine?
The IUPAC name of [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine (CID 63923441) is [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine.
What is the SMILES notation for [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine?
The canonical SMILES for [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine is NCC1(N2CCCc3ccccc32)CCCS(=O)(=O)C1.
What is the InChIKey of [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine?
The InChIKey is MGMGIYJDXQSYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-11-15(8-4-10-20(18,19)12-15)17-9-3-6-13-5-1-2-7-14(13)17/h1-2,5,7H,3-4,6,8-12,16H2.
What are the key properties of [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine?
[3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine has a molecular weight of 294.42 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dihydro-2H-quinolin-1-yl)-1,1-dioxothian-3-yl]methanamine is sourced from PubChem (CID 63923441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).