1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine

C19H23NO2S — CID 46889856

IUPAC1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H23NO2S/c1-20(2)14-16-8-6-7-15-13-18(11-12-19(15)16)23(21,22)17-9-4-3-5-10-17/h3-5,9-13,16H,6-8,14H2,1-2H3
InChIKeyBNWCQYXIEXHUHJ-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.50
Rot. Bonds4

About 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine

1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine (PubChem CID 46889856) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
PubChem CID46889856
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC Name1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H23NO2S/c1-20(2)14-16-8-6-7-15-13-18(11-12-19(15)16)23(21,22)17-9-4-3-5-10-17/h3-5,9-13,16H,6-8,14H2,1-2H3
InChIKeyBNWCQYXIEXHUHJ-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine (CID 46889856) is 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCc2cc(S(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
The InChIKey is BNWCQYXIEXHUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-20(2)14-16-8-6-7-15-13-18(11-12-19(15)16)23(21,22)17-9-4-3-5-10-17/h3-5,9-13,16H,6-8,14H2,1-2H3.
What are the key properties of 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine?
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine has a molecular weight of 329.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 46889856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).