2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide

C17H23N3O4S — CID 70707553

IUPAC2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C17H23N3O4S/c1-11-7-13(8-14(12(11)2)25(18,23)24)16(22)20-5-3-17(4-6-20)9-15(21)19-10-17/h7-8H,3-6,9-10H2,1-2H3,(H,19,21)(H2,18,23,24)
InChIKeyAZXDZTXBUNHLEF-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.69
Rot. Bonds2

About 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide

2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide (PubChem CID 70707553) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
PubChem CID70707553
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
SMILESCc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C17H23N3O4S/c1-11-7-13(8-14(12(11)2)25(18,23)24)16(22)20-5-3-17(4-6-20)9-15(21)19-10-17/h7-8H,3-6,9-10H2,1-2H3,(H,19,21)(H2,18,23,24)
InChIKeyAZXDZTXBUNHLEF-UHFFFAOYSA-N
XLogP0.69
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide (CID 70707553) is 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide is Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)C3)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
The InChIKey is AZXDZTXBUNHLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-11-7-13(8-14(12(11)2)25(18,23)24)16(22)20-5-3-17(4-6-20)9-15(21)19-10-17/h7-8H,3-6,9-10H2,1-2H3,(H,19,21)(H2,18,23,24).
What are the key properties of 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide?
2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide is sourced from PubChem (CID 70707553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).