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

C14H22N2O2S — CID 63218851

IUPAC[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCS(=O)(=O)CCCN1c2ccccc2CCC1CN
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)10-4-9-16-13(11-15)8-7-12-5-2-3-6-14(12)16/h2-3,5-6,13H,4,7-11,15H2,1H3
InChIKeyLWKRTNYUHGMOKQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.20
Rot. Bonds5

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

[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine (PubChem CID 63218851) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
PubChem CID63218851
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine
SMILESCS(=O)(=O)CCCN1c2ccccc2CCC1CN
InChIInChI=1S/C14H22N2O2S/c1-19(17,18)10-4-9-16-13(11-15)8-7-12-5-2-3-6-14(12)16/h2-3,5-6,13H,4,7-11,15H2,1H3
InChIKeyLWKRTNYUHGMOKQ-UHFFFAOYSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The IUPAC name of [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine (CID 63218851) is [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine.
What is the SMILES notation for [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The canonical SMILES for [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine is CS(=O)(=O)CCCN1c2ccccc2CCC1CN.
What is the InChIKey of [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
The InChIKey is LWKRTNYUHGMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-19(17,18)10-4-9-16-13(11-15)8-7-12-5-2-3-6-14(12)16/h2-3,5-6,13H,4,7-11,15H2,1H3.
What are the key properties of [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine?
[1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylpropyl)-3,4-dihydro-2H-quinolin-2-yl]methanamine is sourced from PubChem (CID 63218851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).