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

C20H31N3O4S — CID 95877743

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

(3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide (PubChem CID 95877743) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is (3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
• PubChem CID: 95877743
• Molecular Formula: C20H31N3O4S
• Molecular Weight: 409.55 g/mol
• Exact Mass: 409.20
• IUPAC Name: (3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
• SMILES: Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1
• InChI: InChI=1S/C20H31N3O4S/c1-14-8-9-16-17(12-20(2,3)27-18(16)11-14)21-19(24)15-7-6-10-23(13-15)28(25,26)22(4)5/h8-9,11,15,17H,6-7,10,12-13H2,1-5H3,(H,21,24)/t15-,17-/m1/s1
• InChIKey: YJIJMKKFSSPMGX-NVXWUHKLSA-N
• XLogP: 2.23
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.55
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide (CID 95877743) is (3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide is Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(S(=O)(=O)N(C)C)C1.

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

The InChIKey is YJIJMKKFSSPMGX-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-14-8-9-16-17(12-20(2,3)27-18(16)11-14)21-19(24)15-7-6-10-23(13-15)28(25,26)22(4)5/h8-9,11,15,17H,6-7,10,12-13H2,1-5H3,(H,21,24)/t15-,17-/m1/s1.

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

(3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide has a molecular weight of 409.55 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95877743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).