N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide

C11H15N3O2S — CID 71146353

IUPACN-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide
SMILESNCCNS(=O)(=O)C1=c2ncccc2=CCC1
InChIInChI=1S/C11H15N3O2S/c12-6-8-14-17(15,16)10-5-1-3-9-4-2-7-13-11(9)10/h2-4,7,14H,1,5-6,8,12H2
InChIKeyCPYPYBCYPKNRHL-UHFFFAOYSA-N
MW253.33 g/mol
LogP-1.36
Rot. Bonds4

About N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide

N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide (PubChem CID 71146353) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide
PubChem CID71146353
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide
SMILESNCCNS(=O)(=O)C1=c2ncccc2=CCC1
InChIInChI=1S/C11H15N3O2S/c12-6-8-14-17(15,16)10-5-1-3-9-4-2-7-13-11(9)10/h2-4,7,14H,1,5-6,8,12H2
InChIKeyCPYPYBCYPKNRHL-UHFFFAOYSA-N
XLogP-1.36
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide (CID 71146353) is N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide is NCCNS(=O)(=O)C1=c2ncccc2=CCC1.
What is the InChIKey of N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide?
The InChIKey is CPYPYBCYPKNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-6-8-14-17(15,16)10-5-1-3-9-4-2-7-13-11(9)10/h2-4,7,14H,1,5-6,8,12H2.
What are the key properties of N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide?
N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide has a molecular weight of 253.33 g/mol, XLogP of -1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-6,7-dihydroquinoline-8-sulfonamide is sourced from PubChem (CID 71146353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).