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

C22H30N2O2S — CID 145949682

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

N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (PubChem CID 145949682) has the molecular formula C22H30N2O2S and a molecular weight of 386.60 g/mol. Its IUPAC name is N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
• PubChem CID: 145949682
• Molecular Formula: C22H30N2O2S
• Molecular Weight: 386.60 g/mol
• Exact Mass: 386.20
• IUPAC Name: N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)NCC1=CC2=C(CC[C@@H]([C@@H]2CC3=CC=CC=C3)NC)C=C1
• InChI: InChI=1S/C22H30N2O2S/c1-3-13-27(25,26)24-16-18-9-10-19-11-12-22(23-2)21(20(19)15-18)14-17-7-5-4-6-8-17/h4-10,15,21-24H,3,11-14,16H2,1-2H3/t21-,22+/m1/s1
• InChIKey: CGXVLZCHCUSGSF-YADHBBJMSA-N
• XLogP: 3.80
• TPSA: 66.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: 539

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.60
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?

The IUPAC name of N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide (CID 145949682) is N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide.

What is the SMILES notation for N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?

The canonical SMILES for N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1=CC2=C(CC[C@@H]([C@@H]2CC3=CC=CC=C3)NC)C=C1.

What is the InChIKey of N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?

The InChIKey is CGXVLZCHCUSGSF-YADHBBJMSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-3-13-27(25,26)24-16-18-9-10-19-11-12-22(23-2)21(20(19)15-18)14-17-7-5-4-6-8-17/h4-10,15,21-24H,3,11-14,16H2,1-2H3/t21-,22+/m1/s1.

What are the key properties of N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide?

N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 386.60 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(7S,8R)-8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 145949682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).