4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine

C15H16N2O2S — CID 114411264

IUPAC4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine
SMILESNc1ccc(S(=O)(=O)N2CC=CCC2)c2ccccc12
InChIInChI=1S/C15H16N2O2S/c16-14-8-9-15(13-7-3-2-6-12(13)14)20(18,19)17-10-4-1-5-11-17/h1-4,6-9H,5,10-11,16H2
InChIKeyGTMHJPWESPAOSH-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.37
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine

4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine (PubChem CID 114411264) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine
PubChem CID114411264
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine
SMILESNc1ccc(S(=O)(=O)N2CC=CCC2)c2ccccc12
InChIInChI=1S/C15H16N2O2S/c16-14-8-9-15(13-7-3-2-6-12(13)14)20(18,19)17-10-4-1-5-11-17/h1-4,6-9H,5,10-11,16H2
InChIKeyGTMHJPWESPAOSH-UHFFFAOYSA-N
XLogP2.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylpiperidin-1-yl)sulfonylnaphthalen-1-amine
CID 115944374
4-aminonaphthalene-1-sulfonic acid
CID 6790
1-amino-4-sulfamoylsulfonylnaphthalene
CID 66717013
5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine
CID 164614513
5-(4-benzylpiperidin-1-yl)sulfonylnaphthalen-1-amine;hydrochloride
CID 164614512
4-chloro-3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)pyridine
CID 114408724
3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-2,4,5-trimethylaniline
CID 106505461
1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 141178417
[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-5-methylfuran-2-yl]methanol
CID 114413744
1-(4-bromonaphthalen-1-yl)sulfonylazepane
CID 1075093
4-(3,6-dihydro-2H-pyridin-1-ylsulfonylmethyl)aniline
CID 114407534
[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4,5-difluorophenyl]methanamine
CID 105123683

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine (CID 114411264) is 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine is Nc1ccc(S(=O)(=O)N2CC=CCC2)c2ccccc12.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine?
The InChIKey is GTMHJPWESPAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-14-8-9-15(13-7-3-2-6-12(13)14)20(18,19)17-10-4-1-5-11-17/h1-4,6-9H,5,10-11,16H2.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine?
4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine has a molecular weight of 288.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)naphthalen-1-amine is sourced from PubChem (CID 114411264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).