(3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

C19H27N3O5S — CID 110160637

IUPAC(3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(S(=O)(=O)N1CCOCC1)CC2
InChIInChI=1S/C19H27N3O5S/c23-16-14-19(18(24)20-17(16)15-4-2-1-3-5-15)6-8-21(9-7-19)28(25,26)22-10-12-27-13-11-22/h1-5,16-17,23H,6-14H2,(H,20,24)/t16-,17+/m1/s1
InChIKeyASXZKQBYMCZNMT-SJORKVTESA-N
MW409.51 g/mol
LogP0.27
Rot. Bonds3

About (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

(3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 110160637) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID110160637
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name(3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(S(=O)(=O)N1CCOCC1)CC2
InChIInChI=1S/C19H27N3O5S/c23-16-14-19(18(24)20-17(16)15-4-2-1-3-5-15)6-8-21(9-7-19)28(25,26)22-10-12-27-13-11-22/h1-5,16-17,23H,6-14H2,(H,20,24)/t16-,17+/m1/s1
InChIKeyASXZKQBYMCZNMT-SJORKVTESA-N
XLogP0.27
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (CID 110160637) is (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(S(=O)(=O)N1CCOCC1)CC2.
What is the InChIKey of (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is ASXZKQBYMCZNMT-SJORKVTESA-N. The full InChI is InChI=1S/C19H27N3O5S/c23-16-14-19(18(24)20-17(16)15-4-2-1-3-5-15)6-8-21(9-7-19)28(25,26)22-10-12-27-13-11-22/h1-5,16-17,23H,6-14H2,(H,20,24)/t16-,17+/m1/s1.
What are the key properties of (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
(3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 409.51 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-9-morpholin-4-ylsulfonyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 110160637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).