1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

C24H30N2O4S — CID 100646232

About 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (PubChem CID 100646232) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
• PubChem CID: 100646232
• Molecular Formula: C24H30N2O4S
• Molecular Weight: 442.58 g/mol
• Exact Mass: 442.19
• IUPAC Name: 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
• SMILES: Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
• InChI: InChI=1S/C24H30N2O4S/c1-17-9-10-20-21(16-24(2,3)30-22(20)15-17)25-23(27)18-11-13-26(14-12-18)31(28,29)19-7-5-4-6-8-19/h4-10,15,18,21H,11-14,16H2,1-3H3,(H,25,27)/t21-/m1/s1
• InChIKey: GUQBKNNHGCZXOO-OAQYLSRUSA-N
• XLogP: 3.81
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.58
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide (CID 100646232) is 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.

What is the InChIKey of 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

The InChIKey is GUQBKNNHGCZXOO-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-17-9-10-20-21(16-24(2,3)30-22(20)15-17)25-23(27)18-11-13-26(14-12-18)31(28,29)19-7-5-4-6-8-19/h4-10,15,18,21H,11-14,16H2,1-3H3,(H,25,27)/t21-/m1/s1.

What are the key properties of 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide?

1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide has a molecular weight of 442.58 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 100646232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).