3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide

C27H39N5O8S2 — CID 138681662

About 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide

3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide (PubChem CID 138681662) has the molecular formula C27H39N5O8S2 and a molecular weight of 625.77 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
• PubChem CID: 138681662
• Molecular Formula: C27H39N5O8S2
• Molecular Weight: 625.77 g/mol
• Exact Mass: 625.22
• IUPAC Name: 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
• SMILES: CNS(=O)(=O)c1cccc(OCC(O)CNC2COC3(CCN(S(=O)(=O)c4cccnc4N4CCOCC4)CC3)C2)c1
• InChI: InChI=1S/C27H39N5O8S2/c1-28-41(34,35)24-5-2-4-23(16-24)39-20-22(33)18-30-21-17-27(40-19-21)7-10-32(11-8-27)42(36,37)25-6-3-9-29-26(25)31-12-14-38-15-13-31/h2-6,9,16,21-22,28,30,33H,7-8,10-15,17-20H2,1H3
• InChIKey: OIGSIJLTMGOAQZ-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 159.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.77
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

The IUPAC name of 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide (CID 138681662) is 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide.

What is the SMILES notation for 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

The canonical SMILES for 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(OCC(O)CNC2COC3(CCN(S(=O)(=O)c4cccnc4N4CCOCC4)CC3)C2)c1.

What is the InChIKey of 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

The InChIKey is OIGSIJLTMGOAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O8S2/c1-28-41(34,35)24-5-2-4-23(16-24)39-20-22(33)18-30-21-17-27(40-19-21)7-10-32(11-8-27)42(36,37)25-6-3-9-29-26(25)31-12-14-38-15-13-31/h2-6,9,16,21-22,28,30,33H,7-8,10-15,17-20H2,1H3.

What are the key properties of 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide has a molecular weight of 625.77 g/mol, XLogP of 0.17, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-hydroxy-3-[[8-[(2-morpholin-4-yl-3-pyridinyl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 138681662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).