1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine

C10H14N2O2S — CID 9125291

IUPAC1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCS(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6,11H2,1H3
InChIKeyAUZYQFQJWXVRLN-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.98
Rot. Bonds1

About 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine

1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 9125291) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
PubChem CID9125291
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine
SMILESCS(=O)(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C10H14N2O2S/c1-15(13,14)12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6,11H2,1H3
InChIKeyAUZYQFQJWXVRLN-UHFFFAOYSA-N
XLogP0.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine (CID 9125291) is 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine is CS(=O)(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is AUZYQFQJWXVRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-15(13,14)12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6,11H2,1H3.
What are the key properties of 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine?
1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 226.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 9125291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).