N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine

C15H18N2O2S — CID 139007318

IUPACN-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine
SMILESCS(=O)(=O)C1(CNCc2cccc3cccnc23)CC1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)15(7-8-15)11-16-10-13-5-2-4-12-6-3-9-17-14(12)13/h2-6,9,16H,7-8,10-11H2,1H3
InChIKeyXLZCYVWXYHEXTL-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.90
Rot. Bonds5

About N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine

N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine (PubChem CID 139007318) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine
PubChem CID139007318
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine
SMILESCS(=O)(=O)C1(CNCc2cccc3cccnc23)CC1
InChIInChI=1S/C15H18N2O2S/c1-20(18,19)15(7-8-15)11-16-10-13-5-2-4-12-6-3-9-17-14(12)13/h2-6,9,16H,7-8,10-11H2,1H3
InChIKeyXLZCYVWXYHEXTL-UHFFFAOYSA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine?
The IUPAC name of N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine (CID 139007318) is N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine is CS(=O)(=O)C1(CNCc2cccc3cccnc23)CC1.
What is the InChIKey of N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine?
The InChIKey is XLZCYVWXYHEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-20(18,19)15(7-8-15)11-16-10-13-5-2-4-12-6-3-9-17-14(12)13/h2-6,9,16H,7-8,10-11H2,1H3.
What are the key properties of N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine?
N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine has a molecular weight of 290.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfonylcyclopropyl)methyl]-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 139007318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).