N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

C20H26N2O3S2 — CID 71462179

About N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide

N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 71462179) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
• PubChem CID: 71462179
• Molecular Formula: C20H26N2O3S2
• Molecular Weight: 406.57 g/mol
• Exact Mass: 406.14
• IUPAC Name: N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
• SMILES: O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1
• InChI: InChI=1S/C20H26N2O3S2/c23-27(24,20-9-4-14-26-20)21-17-10-11-22(15-17)12-13-25-19-8-3-6-16-5-1-2-7-18(16)19/h3-4,6,8-9,14,17,21H,1-2,5,7,10-13,15H2
• InChIKey: MXELMKSJXSFSDI-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.57
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

The IUPAC name of N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 71462179) is N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is O=S(=O)(NC1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1.

What is the InChIKey of N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

The InChIKey is MXELMKSJXSFSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c23-27(24,20-9-4-14-26-20)21-17-10-11-22(15-17)12-13-25-19-8-3-6-16-5-1-2-7-18(16)19/h3-4,6,8-9,14,17,21H,1-2,5,7,10-13,15H2.

What are the key properties of N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide?

N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 406.57 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 71462179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).