2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide

C16H26N2O2S — CID 106064380

IUPAC2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC2C)c(C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-5-7-15(11)18-21(19,20)16-9-14(10-17-4)12(2)8-13(16)3/h8-9,11,15,17-18H,5-7,10H2,1-4H3
InChIKeyQOCURUVHZZADJY-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.49
Rot. Bonds5

About 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide

2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 106064380) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID106064380
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCCC2C)c(C)cc1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-5-7-15(11)18-21(19,20)16-9-14(10-17-4)12(2)8-13(16)3/h8-9,11,15,17-18H,5-7,10H2,1-4H3
InChIKeyQOCURUVHZZADJY-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
4-(methylaminomethyl)-N-(2-methylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 106064257
2,5-dibromo-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 81435568
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
1-methyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)pyrrole-3-sulfonamide
CID 106064325
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-nitrobenzenesulfonamide
CID 7798978
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
5-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279395
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106064198
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
N-(2,3-dimethylcyclopentyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106069133

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide (CID 106064380) is 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NC2CCCC2C)c(C)cc1C.
What is the InChIKey of 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is QOCURUVHZZADJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-6-5-7-15(11)18-21(19,20)16-9-14(10-17-4)12(2)8-13(16)3/h8-9,11,15,17-18H,5-7,10H2,1-4H3.
What are the key properties of 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide?
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106064380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).