N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine

C16H19NO2S — CID 141296810

IUPACN,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine
SMILESCC(C)=CS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H19NO2S/c1-12(2)11-20(18,19)16-10-6-7-13-14(16)8-5-9-15(13)17(3)4/h5-11H,1-4H3
InChIKeyQOEOFXXQKHRXJN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.60
Rot. Bonds3

About N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine

N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine (PubChem CID 141296810) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine
PubChem CID141296810
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine
SMILESCC(C)=CS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C16H19NO2S/c1-12(2)11-20(18,19)16-10-6-7-13-14(16)8-5-9-15(13)17(3)4/h5-11H,1-4H3
InChIKeyQOEOFXXQKHRXJN-UHFFFAOYSA-N
XLogP3.60
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dansylamide
CID 65077
Monodansylcadaverine
CID 4247
Dansyl chloride
CID 11801
Dansylhydrazine
CID 94442
Dansyl acid
CID 1792
FluoroBora I
CID 150643
Pyrrolidine, 1-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-
CID 738896
Dansylethylenediamine
CID 161851
5-(Dimethylamino)-1-naphthalenesulfonyl fluoride
CID 93175
N1-dansyl-spermine
CID 9889212
1-{[5-(Dimethylamino)naphthyl]sulfonyl}-1-hydrazino-2-carboxamidine
CID 5058442
5-(Dimethylamino)-2-naphthalenesulfonic acid
CID 4474224

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine?
The IUPAC name of N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine (CID 141296810) is N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine.
What is the SMILES notation for N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine?
The canonical SMILES for N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine is CC(C)=CS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine?
The InChIKey is QOEOFXXQKHRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(2)11-20(18,19)16-10-6-7-13-14(16)8-5-9-15(13)17(3)4/h5-11H,1-4H3.
What are the key properties of N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine?
N,N-dimethyl-5-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine has a molecular weight of 289.40 g/mol, XLogP of 3.60, 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-(2-methylprop-1-enylsulfonyl)naphthalen-1-amine is sourced from PubChem (CID 141296810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).