3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine

C15H16N2O2S — CID 141154020

IUPAC3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(S(=O)(=O)c3ccc4ccccc4c3)CC12
InChIInChI=1S/C15H16N2O2S/c16-15-13-8-17(9-14(13)15)20(18,19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-15H,8-9,16H2
InChIKeyWYPQNDZBBYEVTH-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.42
Rot. Bonds2

About 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine

3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 141154020) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID141154020
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESNC1C2CN(S(=O)(=O)c3ccc4ccccc4c3)CC12
InChIInChI=1S/C15H16N2O2S/c16-15-13-8-17(9-14(13)15)20(18,19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-15H,8-9,16H2
InChIKeyWYPQNDZBBYEVTH-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119993487
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
(1-naphthalen-2-ylsulfonylpyrrolidin-3-yl)methanamine
CID 62063398
4-cyclopropylidene-1-naphthalen-2-ylsulfonylpiperidine
CID 121187246
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
(1S,5R)-3-(4-nitrophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 99779560
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
N-methyl-1-naphthalen-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119963029
(3S)-1-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)piperidine
CID 2082096
3-(2-bromophenyl)sulfonyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 90313011

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 141154020) is 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine is NC1C2CN(S(=O)(=O)c3ccc4ccccc4c3)CC12.
What is the InChIKey of 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is WYPQNDZBBYEVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-15-13-8-17(9-14(13)15)20(18,19)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-15H,8-9,16H2.
What are the key properties of 3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine?
3-naphthalen-2-ylsulfonyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 288.37 g/mol, XLogP of 1.42, 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-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 141154020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).