8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H22N4O5S — CID 94783768

IUPAC8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1
InChIInChI=1S/C13H22N4O5S/c1-9-7-17(8-10(2)22-9)23(20,21)16-5-3-13(4-6-16)11(18)14-12(19)15-13/h9-10H,3-8H2,1-2H3,(H2,14,15,18,19)/t9-,10+
InChIKeyPPJMSRQBIMWBBV-AOOOYVTPSA-N
MW346.41 g/mol
LogP-0.99
Rot. Bonds2

About 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 94783768) has the molecular formula C13H22N4O5S and a molecular weight of 346.41 g/mol. Its IUPAC name is 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID94783768
Molecular FormulaC13H22N4O5S
Molecular Weight346.41 g/mol
Exact Mass346.13
IUPAC Name8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1
InChIInChI=1S/C13H22N4O5S/c1-9-7-17(8-10(2)22-9)23(20,21)16-5-3-13(4-6-16)11(18)14-12(19)15-13/h9-10H,3-8H2,1-2H3,(H2,14,15,18,19)/t9-,10+
InChIKeyPPJMSRQBIMWBBV-AOOOYVTPSA-N
XLogP-0.99
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 94783768) is 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H]1CN(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)C[C@H](C)O1.
What is the InChIKey of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PPJMSRQBIMWBBV-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H22N4O5S/c1-9-7-17(8-10(2)22-9)23(20,21)16-5-3-13(4-6-16)11(18)14-12(19)15-13/h9-10H,3-8H2,1-2H3,(H2,14,15,18,19)/t9-,10+.
What are the key properties of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 346.41 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94783768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).