1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C22H29NO2S — CID 57467371

IUPAC1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCS(=O)(=O)CCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2
InChIInChI=1S/C22H29NO2S/c1-2-13-26(24,25)14-12-18-8-9-19-10-11-22(23)21(20(19)15-18)16-17-6-4-3-5-7-17/h3-9,15,21-22H,2,10-14,16,23H2,1H3
InChIKeySIPHFNMNWJYHIT-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.65
Rot. Bonds7

About 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 57467371) has the molecular formula C22H29NO2S and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID57467371
Molecular FormulaC22H29NO2S
Molecular Weight371.55 g/mol
Exact Mass371.19
IUPAC Name1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCS(=O)(=O)CCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2
InChIInChI=1S/C22H29NO2S/c1-2-13-26(24,25)14-12-18-8-9-19-10-11-22(23)21(20(19)15-18)16-17-6-4-3-5-7-17/h3-9,15,21-22H,2,10-14,16,23H2,1H3
InChIKeySIPHFNMNWJYHIT-UHFFFAOYSA-N
XLogP3.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 57467371) is 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCCS(=O)(=O)CCc1ccc2c(c1)C(Cc1ccccc1)C(N)CC2.
What is the InChIKey of 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SIPHFNMNWJYHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2S/c1-2-13-26(24,25)14-12-18-8-9-19-10-11-22(23)21(20(19)15-18)16-17-6-4-3-5-7-17/h3-9,15,21-22H,2,10-14,16,23H2,1H3.
What are the key properties of 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 371.55 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 57467371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).