N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide

C14H17N3O2S — CID 155381140

IUPACN-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1cccc2ccc(CNC)nc12
InChIInChI=1S/C14H17N3O2S/c1-3-9-20(18,19)17-13-6-4-5-11-7-8-12(10-15-2)16-14(11)13/h3-8,15,17H,1,9-10H2,2H3
InChIKeyOWSLJWLJYTXOMI-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.88
Rot. Bonds6

About N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide

N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide (PubChem CID 155381140) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide
PubChem CID155381140
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1cccc2ccc(CNC)nc12
InChIInChI=1S/C14H17N3O2S/c1-3-9-20(18,19)17-13-6-4-5-11-7-8-12(10-15-2)16-14(11)13/h3-8,15,17H,1,9-10H2,2H3
InChIKeyOWSLJWLJYTXOMI-UHFFFAOYSA-N
XLogP1.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide (CID 155381140) is N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1cccc2ccc(CNC)nc12.
What is the InChIKey of N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide?
The InChIKey is OWSLJWLJYTXOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-9-20(18,19)17-13-6-4-5-11-7-8-12(10-15-2)16-14(11)13/h3-8,15,17H,1,9-10H2,2H3.
What are the key properties of N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide?
N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylaminomethyl)quinolin-8-yl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 155381140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).