2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide

C15H26N2O3S — CID 102704372

IUPAC2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc(CNC)cc1OC
InChIInChI=1S/C15H26N2O3S/c1-6-9-17(12(2)3)21(18,19)15-8-7-13(11-16-4)10-14(15)20-5/h7-8,10,12,16H,6,9,11H2,1-5H3
InChIKeyPFTPUBYWTCXFDT-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.22
Rot. Bonds8

About 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide

2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 102704372) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID102704372
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc(CNC)cc1OC
InChIInChI=1S/C15H26N2O3S/c1-6-9-17(12(2)3)21(18,19)15-8-7-13(11-16-4)10-14(15)20-5/h7-8,10,12,16H,6,9,11H2,1-5H3
InChIKeyPFTPUBYWTCXFDT-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691
5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide
CID 54922238
2-bromo-3-methyl-5-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 114364095
N-(1-ethylsulfanylpropan-2-yl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 106083434
2-methoxy-4-(methylaminomethyl)-N,N-dipropylaniline
CID 84754258
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide (CID 102704372) is 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1ccc(CNC)cc1OC.
What is the InChIKey of 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is PFTPUBYWTCXFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-9-17(12(2)3)21(18,19)15-8-7-13(11-16-4)10-14(15)20-5/h7-8,10,12,16H,6,9,11H2,1-5H3.
What are the key properties of 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide?
2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(methylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 102704372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).