(4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one

C18H26N4O4S — CID 92561659

IUPAC(4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1cccc([C@@H]2CN(S(=O)(=O)N3CCOCC3)C[C@]23CCCC(=O)N3)n1
InChIInChI=1S/C18H26N4O4S/c1-14-4-2-5-16(19-14)15-12-22(13-18(15)7-3-6-17(23)20-18)27(24,25)21-8-10-26-11-9-21/h2,4-5,15H,3,6-13H2,1H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyOQTKAMDGTBJQNP-MAUKXSAKSA-N
MW394.50 g/mol
LogP0.41
Rot. Bonds3

About (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92561659) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92561659
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name(4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one
SMILESCc1cccc([C@@H]2CN(S(=O)(=O)N3CCOCC3)C[C@]23CCCC(=O)N3)n1
InChIInChI=1S/C18H26N4O4S/c1-14-4-2-5-16(19-14)15-12-22(13-18(15)7-3-6-17(23)20-18)27(24,25)21-8-10-26-11-9-21/h2,4-5,15H,3,6-13H2,1H3,(H,20,23)/t15-,18+/m0/s1
InChIKeyOQTKAMDGTBJQNP-MAUKXSAKSA-N
XLogP0.41
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one (CID 92561659) is (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one is Cc1cccc([C@@H]2CN(S(=O)(=O)N3CCOCC3)C[C@]23CCCC(=O)N3)n1.
What is the InChIKey of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is OQTKAMDGTBJQNP-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-14-4-2-5-16(19-14)15-12-22(13-18(15)7-3-6-17(23)20-18)27(24,25)21-8-10-26-11-9-21/h2,4-5,15H,3,6-13H2,1H3,(H,20,23)/t15-,18+/m0/s1.
What are the key properties of (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 394.50 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(6-methyl-2-pyridinyl)-2-morpholin-4-ylsulfonyl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92561659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).