N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide

C17H22N4O2S — CID 164966824

IUPACN-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide
SMILESCc1cc2nncc(N3CC4(CC(NS(C)(=O)=O)C4)C3)c2cc1C
InChIInChI=1S/C17H22N4O2S/c1-11-4-14-15(5-12(11)2)19-18-8-16(14)21-9-17(10-21)6-13(7-17)20-24(3,22)23/h4-5,8,13,20H,6-7,9-10H2,1-3H3
InChIKeyCOZRUWAFGSAGOK-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.76
Rot. Bonds3

About N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide

N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide (PubChem CID 164966824) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide
PubChem CID164966824
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide
SMILESCc1cc2nncc(N3CC4(CC(NS(C)(=O)=O)C4)C3)c2cc1C
InChIInChI=1S/C17H22N4O2S/c1-11-4-14-15(5-12(11)2)19-18-8-16(14)21-9-17(10-21)6-13(7-17)20-24(3,22)23/h4-5,8,13,20H,6-7,9-10H2,1-3H3
InChIKeyCOZRUWAFGSAGOK-UHFFFAOYSA-N
XLogP1.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
The IUPAC name of N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide (CID 164966824) is N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide is Cc1cc2nncc(N3CC4(CC(NS(C)(=O)=O)C4)C3)c2cc1C.
What is the InChIKey of N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
The InChIKey is COZRUWAFGSAGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11-4-14-15(5-12(11)2)19-18-8-16(14)21-9-17(10-21)6-13(7-17)20-24(3,22)23/h4-5,8,13,20H,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide?
N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethylcinnolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methanesulfonamide is sourced from PubChem (CID 164966824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).