N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide

C17H24N2O3S — CID 71836627

IUPACN-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CC12CCCC2
InChIInChI=1S/C17H24N2O3S/c1-13-5-7-14(8-6-13)23(21,22)19-11-15(16(20)18-2)17(12-19)9-3-4-10-17/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyDBVXKTGOJBWVIK-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide

N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide (PubChem CID 71836627) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide
PubChem CID71836627
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CC12CCCC2
InChIInChI=1S/C17H24N2O3S/c1-13-5-7-14(8-6-13)23(21,22)19-11-15(16(20)18-2)17(12-19)9-3-4-10-17/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyDBVXKTGOJBWVIK-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide (CID 71836627) is N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide is CNC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CC12CCCC2.
What is the InChIKey of N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide?
The InChIKey is DBVXKTGOJBWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-5-7-14(8-6-13)23(21,22)19-11-15(16(20)18-2)17(12-19)9-3-4-10-17/h5-8,15H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide?
N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)sulfonyl-2-azaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 71836627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).