N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide

C15H27N3O2S — CID 106048559

IUPACN,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
SMILESCC(C)N(C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-13(2)18(5)12-6-11-16-14-7-9-15(10-8-14)21(19,20)17(3)4/h7-10,13,16H,6,11-12H2,1-5H3
InChIKeyKISZZMVXEMCTRI-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.08
Rot. Bonds8

About N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide

N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide (PubChem CID 106048559) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
PubChem CID106048559
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide
SMILESCC(C)N(C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C15H27N3O2S/c1-13(2)18(5)12-6-11-16-14-7-9-15(10-8-14)21(19,20)17(3)4/h7-10,13,16H,6,11-12H2,1-5H3
InChIKeyKISZZMVXEMCTRI-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685
N,N-dimethyl-6-[3-[methyl(propan-2-yl)amino]propylamino]pyridine-3-sulfonamide
CID 106048482
4-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43453910
4-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,4-diamine
CID 106036365
4-(5-chloropentylamino)-N,N-dimethylbenzenesulfonamide
CID 107320547
4-[3-(ethylamino)propylamino]-N,N-dimethylbenzenesulfonamide
CID 54906965
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966
4-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62640164
4-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62498471
4-[(4-hydroxy-2-methylbutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 66107751
6-[4-(dimethylsulfamoyl)anilino]hexanoic acid
CID 43453874
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzenesulfonamide
CID 62842954

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide (CID 106048559) is N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide is CC(C)N(C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
The InChIKey is KISZZMVXEMCTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-13(2)18(5)12-6-11-16-14-7-9-15(10-8-14)21(19,20)17(3)4/h7-10,13,16H,6,11-12H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide?
N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzenesulfonamide is sourced from PubChem (CID 106048559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).