1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine

C15H18N2O2S — CID 71916418

IUPAC1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine
SMILESO=S1(=O)CCCC1CNCc1cccc2cccnc12
InChIInChI=1S/C15H18N2O2S/c18-20(19)9-3-7-14(20)11-16-10-13-5-1-4-12-6-2-8-17-15(12)13/h1-2,4-6,8,14,16H,3,7,9-11H2
InChIKeyZBXCENZENRQGME-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.90
Rot. Bonds4

About 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine

1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine (PubChem CID 71916418) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine
PubChem CID71916418
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine
SMILESO=S1(=O)CCCC1CNCc1cccc2cccnc12
InChIInChI=1S/C15H18N2O2S/c18-20(19)9-3-7-14(20)11-16-10-13-5-1-4-12-6-2-8-17-15(12)13/h1-2,4-6,8,14,16H,3,7,9-11H2
InChIKeyZBXCENZENRQGME-UHFFFAOYSA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine (CID 71916418) is 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine is O=S1(=O)CCCC1CNCc1cccc2cccnc12.
What is the InChIKey of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine?
The InChIKey is ZBXCENZENRQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-20(19)9-3-7-14(20)11-16-10-13-5-1-4-12-6-2-8-17-15(12)13/h1-2,4-6,8,14,16H,3,7,9-11H2.
What are the key properties of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine?
1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine has a molecular weight of 290.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-8-ylmethyl)methanamine is sourced from PubChem (CID 71916418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).