2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 105416124

IUPAC2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccccc2CN)CCC1
InChIInChI=1S/C15H25N3O2S/c1-17(2)15(9-6-10-15)12-18(3)21(19,20)14-8-5-4-7-13(14)11-16/h4-5,7-8H,6,9-12,16H2,1-3H3
InChIKeyCQNNYXSBHOKJOJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.25
Rot. Bonds6

About 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide

2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (PubChem CID 105416124) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
PubChem CID105416124
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(C)C1(CN(C)S(=O)(=O)c2ccccc2CN)CCC1
InChIInChI=1S/C15H25N3O2S/c1-17(2)15(9-6-10-15)12-18(3)21(19,20)14-8-5-4-7-13(14)11-16/h4-5,7-8H,6,9-12,16H2,1-3H3
InChIKeyCQNNYXSBHOKJOJ-UHFFFAOYSA-N
XLogP1.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide (CID 105416124) is 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is CN(C)C1(CN(C)S(=O)(=O)c2ccccc2CN)CCC1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is CQNNYXSBHOKJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-17(2)15(9-6-10-15)12-18(3)21(19,20)14-8-5-4-7-13(14)11-16/h4-5,7-8H,6,9-12,16H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide?
2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 105416124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).