N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide

C15H27N3O2S — CID 106052029

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-12(2)14(11-18(4)5)17-21(19,20)15-9-7-6-8-13(15)10-16-3/h6-9,12,14,16-17H,10-11H2,1-5H3
InChIKeyFPGRGQIDOILFDH-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.27
Rot. Bonds8

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 106052029) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
PubChem CID106052029
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccccc1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-12(2)14(11-18(4)5)17-21(19,20)15-9-7-6-8-13(15)10-16-3/h6-9,12,14,16-17H,10-11H2,1-5H3
InChIKeyFPGRGQIDOILFDH-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
CID 81241641
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
2-(aminomethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945773
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
CID 61476241
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
2-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064886

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide (CID 106052029) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccccc1S(=O)(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is FPGRGQIDOILFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-12(2)14(11-18(4)5)17-21(19,20)15-9-7-6-8-13(15)10-16-3/h6-9,12,14,16-17H,10-11H2,1-5H3.
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106052029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).