N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

C21H30N4O4S2 — CID 134804385

About N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 134804385) has the molecular formula C21H30N4O4S2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
• PubChem CID: 134804385
• Molecular Formula: C21H30N4O4S2
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.17
• IUPAC Name: N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
• SMILES: O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)N1CC2CC(C1)[C@H]1CCCC(=O)N1C2
• InChI: InChI=1S/C21H30N4O4S2/c26-19-4-1-3-18-16-11-15(13-25(18)19)12-24(14-16)21(27)23-8-6-17(7-9-23)22-31(28,29)20-5-2-10-30-20/h2,5,10,15-18,22H,1,3-4,6-9,11-14H2/t15?,16?,18-/m1/s1
• InChIKey: RURZICDVCYYZFS-LEOMRAHMSA-N
• XLogP: 1.94
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

The IUPAC name of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 134804385) is N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is O=C(N1CCC(NS(=O)(=O)c2cccs2)CC1)N1CC2CC(C1)[C@H]1CCCC(=O)N1C2.

What is the InChIKey of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

The InChIKey is RURZICDVCYYZFS-LEOMRAHMSA-N. The full InChI is InChI=1S/C21H30N4O4S2/c26-19-4-1-3-18-16-11-15(13-25(18)19)12-24(14-16)21(27)23-8-6-17(7-9-23)22-31(28,29)20-5-2-10-30-20/h2,5,10,15-18,22H,1,3-4,6-9,11-14H2/t15?,16?,18-/m1/s1.

What are the key properties of N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide?

N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 466.63 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 134804385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).