N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide

C24H32N2O2S — CID 57471405

IUPACN-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2
InChIInChI=1S/C24H32N2O2S/c1-2-15-29(27,28)25-18-20-9-10-21-11-12-24(26-13-6-14-26)23(22(21)17-20)16-19-7-4-3-5-8-19/h3-5,7-10,17,23-25H,2,6,11-16,18H2,1H3
InChIKeySLCSSVAVCXUAJF-UHFFFAOYSA-N
MW412.60 g/mol
LogP3.86
Rot. Bonds8

About N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide

N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (PubChem CID 57471405) has the molecular formula C24H32N2O2S and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
PubChem CID57471405
Molecular FormulaC24H32N2O2S
Molecular Weight412.60 g/mol
Exact Mass412.22
IUPAC NameN-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2
InChIInChI=1S/C24H32N2O2S/c1-2-15-29(27,28)25-18-20-9-10-21-11-12-24(26-13-6-14-26)23(22(21)17-20)16-19-7-4-3-5-8-19/h3-5,7-10,17,23-25H,2,6,11-16,18H2,1H3
InChIKeySLCSSVAVCXUAJF-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (CID 57471405) is N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC1)CC2.
What is the InChIKey of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is SLCSSVAVCXUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2S/c1-2-15-29(27,28)25-18-20-9-10-21-11-12-24(26-13-6-14-26)23(22(21)17-20)16-19-7-4-3-5-8-19/h3-5,7-10,17,23-25H,2,6,11-16,18H2,1H3.
What are the key properties of N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?
N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 412.60 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 57471405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).