propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate

C19H31N3O4S — CID 137461992

About propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate

propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 137461992) has the molecular formula C19H31N3O4S and a molecular weight of 397.54 g/mol. Its IUPAC name is propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
• PubChem CID: 137461992
• Molecular Formula: C19H31N3O4S
• Molecular Weight: 397.54 g/mol
• Exact Mass: 397.20
• IUPAC Name: propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate
• SMILES: CC(C)OC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1cccc(C(C)C)n1
• InChI: InChI=1S/C19H31N3O4S/c1-13(2)16-9-6-8-15(20-16)12-18-17(21-27(5,24)25)10-7-11-22(18)19(23)26-14(3)4/h6,8-9,13-14,17-18,21H,7,10-12H2,1-5H3/t17-,18-/m1/s1
• InChIKey: JDTYFORXUGISNC-QZTJIDSGSA-N
• XLogP: 2.67
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.54
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?

The IUPAC name of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate (CID 137461992) is propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate.

What is the SMILES notation for propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?

The canonical SMILES for propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC[C@@H](NS(C)(=O)=O)[C@H]1Cc1cccc(C(C)C)n1.

What is the InChIKey of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?

The InChIKey is JDTYFORXUGISNC-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H31N3O4S/c1-13(2)16-9-6-8-15(20-16)12-18-17(21-27(5,24)25)10-7-11-22(18)19(23)26-14(3)4/h6,8-9,13-14,17-18,21H,7,10-12H2,1-5H3/t17-,18-/m1/s1.

What are the key properties of propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate?

propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 397.54 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2R,3R)-3-(methanesulfonamido)-2-[(6-propan-2-yl-2-pyridinyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 137461992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).