N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

C17H26N2O2S — CID 98894707

IUPACN-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1C
InChIInChI=1S/C17H26N2O2S/c1-13-4-5-15(8-14(13)2)11-19-7-6-17(12-19)9-16(10-17)18-22(3,20)21/h4-5,8,16,18H,6-7,9-12H2,1-3H3
InChIKeyNGUQQMMLXHBQSO-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.21
Rot. Bonds4

About N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide

N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (PubChem CID 98894707) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
PubChem CID98894707
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
SMILESCc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1C
InChIInChI=1S/C17H26N2O2S/c1-13-4-5-15(8-14(13)2)11-19-7-6-17(12-19)9-16(10-17)18-22(3,20)21/h4-5,8,16,18H,6-7,9-12H2,1-3H3
InChIKeyNGUQQMMLXHBQSO-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide with MolForge

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Related Compounds

N-[7-[(2-methylpyrimidin-5-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98895376
N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98897416
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
CID 81116386
N-[6-(2-methylsulfanylacetyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896234
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
CID 98894598
N-[6-(5-methylpyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896233
1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 176502214
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide (CID 98894707) is N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is Cc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1C.
What is the InChIKey of N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
The InChIKey is NGUQQMMLXHBQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-4-5-15(8-14(13)2)11-19-7-6-17(12-19)9-16(10-17)18-22(3,20)21/h4-5,8,16,18H,6-7,9-12H2,1-3H3.
What are the key properties of N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide?
N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide is sourced from PubChem (CID 98894707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).