3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane

C17H20N2O2S — CID 119989319

IUPAC3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC2CCC(C1)N2
InChIInChI=1S/C17H20N2O2S/c20-22(21,19-10-9-15-6-7-16(12-19)18-15)17-8-5-13-3-1-2-4-14(13)11-17/h1-5,8,11,15-16,18H,6-7,9-10,12H2
InChIKeyITCSMEYHGJZGNN-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.35
Rot. Bonds2

About 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane

3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 119989319) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID119989319
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC2CCC(C1)N2
InChIInChI=1S/C17H20N2O2S/c20-22(21,19-10-9-15-6-7-16(12-19)18-15)17-8-5-13-3-1-2-4-14(13)11-17/h1-5,8,11,15-16,18H,6-7,9-10,12H2
InChIKeyITCSMEYHGJZGNN-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
(2R,6R)-2,6-dimethyl-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)morpholine
CID 1333651
3-(4-fluorophenyl)-1-naphthalen-2-ylsulfonylazepane
CID 90608901
3-(4-tert-butylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989478
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
3-butyl-1-naphthalen-2-ylsulfonylpyrrolidine
CID 70948532
3-(1H-pyrrol-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314182
3-(3-chloro-4-methylsulfanylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120711784
3-[3-fluoro-4-(trifluoromethyl)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120711750

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane (CID 119989319) is 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane is O=S(=O)(c1ccc2ccccc2c1)N1CCC2CCC(C1)N2.
What is the InChIKey of 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is ITCSMEYHGJZGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c20-22(21,19-10-9-15-6-7-16(12-19)18-15)17-8-5-13-3-1-2-4-14(13)11-17/h1-5,8,11,15-16,18H,6-7,9-10,12H2.
What are the key properties of 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane?
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 316.43 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 119989319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).