N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine

C17H22N2O2S — CID 598926

IUPACN,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCCCC3)cccc12
InChIInChI=1S/C17H22N2O2S/c1-18(2)16-10-6-9-15-14(16)8-7-11-17(15)22(20,21)19-12-4-3-5-13-19/h6-11H,3-5,12-13H2,1-2H3
InChIKeyIRHRWFMGWZOGDI-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.08
Rot. Bonds3

About N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine

N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine (PubChem CID 598926) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine
PubChem CID598926
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine
SMILESCN(C)c1cccc2c(S(=O)(=O)N3CCCCC3)cccc12
InChIInChI=1S/C17H22N2O2S/c1-18(2)16-10-6-9-15-14(16)8-7-11-17(15)22(20,21)19-12-4-3-5-13-19/h6-11H,3-5,12-13H2,1-2H3
InChIKeyIRHRWFMGWZOGDI-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine (CID 598926) is N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine is CN(C)c1cccc2c(S(=O)(=O)N3CCCCC3)cccc12.
What is the InChIKey of N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine?
The InChIKey is IRHRWFMGWZOGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-18(2)16-10-6-9-15-14(16)8-7-11-17(15)22(20,21)19-12-4-3-5-13-19/h6-11H,3-5,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine?
N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine has a molecular weight of 318.44 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-piperidin-1-ylsulfonylnaphthalen-1-amine is sourced from PubChem (CID 598926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).