2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine

C28H32N2O2S — CID 141080662

IUPAC2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine
SMILESCN(C)C(CS(=O)(=O)CC(c1cccc2ccccc12)N(C)C)c1cccc2ccccc12
InChIInChI=1S/C28H32N2O2S/c1-29(2)27(25-17-9-13-21-11-5-7-15-23(21)25)19-33(31,32)20-28(30(3)4)26-18-10-14-22-12-6-8-16-24(22)26/h5-18,27-28H,19-20H2,1-4H3
InChIKeyHPGGPKXLQJUSAP-UHFFFAOYSA-N
MW460.64 g/mol
LogP5.31
Rot. Bonds8

About 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine

2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine (PubChem CID 141080662) has the molecular formula C28H32N2O2S and a molecular weight of 460.64 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine
PubChem CID141080662
Molecular FormulaC28H32N2O2S
Molecular Weight460.64 g/mol
Exact Mass460.22
IUPAC Name2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine
SMILESCN(C)C(CS(=O)(=O)CC(c1cccc2ccccc12)N(C)C)c1cccc2ccccc12
InChIInChI=1S/C28H32N2O2S/c1-29(2)27(25-17-9-13-21-11-5-7-15-23(21)25)19-33(31,32)20-28(30(3)4)26-18-10-14-22-12-6-8-16-24(22)26/h5-18,27-28H,19-20H2,1-4H3
InChIKeyHPGGPKXLQJUSAP-UHFFFAOYSA-N
XLogP5.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.64
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine with MolForge

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Related Compounds

1-[(1S)-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 35308399
1-[1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 42955136
2-(2-methylpropylsulfonyl)-1-naphthalen-1-ylethanamine
CID 64646024
(1R)-N,N,2,2-tetramethyl-1-naphthalen-1-ylpropan-1-amine
CID 102257505
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]naphthalene-1-carboxamide
CID 8701456
N-[2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-nitrobenzenesulfonamide
CID 16831470
N-methyl-N-(1-naphthalen-1-ylethyl)propan-2-amine
CID 22982648
1-propan-2-ylnaphthalene;sulfuric acid
CID 70424781
1-(dimethylamino)-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 116911415
N-(2-hydroxy-1-naphthalen-1-ylethyl)-N-methylacetamide
CID 116860926
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
N-ethyl-1-naphthalen-1-yl-2-propylsulfonylethanamine
CID 64644512

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine (CID 141080662) is 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine is CN(C)C(CS(=O)(=O)CC(c1cccc2ccccc12)N(C)C)c1cccc2ccccc12.
What is the InChIKey of 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine?
The InChIKey is HPGGPKXLQJUSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2S/c1-29(2)27(25-17-9-13-21-11-5-7-15-23(21)25)19-33(31,32)20-28(30(3)4)26-18-10-14-22-12-6-8-16-24(22)26/h5-18,27-28H,19-20H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine?
2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine has a molecular weight of 460.64 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-naphthalen-1-ylethyl]sulfonyl-N,N-dimethyl-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 141080662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).