2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

C13H23N3O2S — CID 62640214

IUPAC2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-11(2)16(4)10-9-15-19(17,18)13-8-6-5-7-12(13)14-3/h5-8,11,14-15H,9-10H2,1-4H3
InChIKeyXBNPEAMCHAXUED-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.35
Rot. Bonds7

About 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide

2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 62640214) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID62640214
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C13H23N3O2S/c1-11(2)16(4)10-9-15-19(17,18)13-8-6-5-7-12(13)14-3/h5-8,11,14-15H,9-10H2,1-4H3
InChIKeyXBNPEAMCHAXUED-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106342257
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
CID 62641127
N-[2-[[2-(methylamino)phenyl]sulfonylamino]ethyl]acetamide
CID 55043683
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986
2-(methylamino)-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 115522029
N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62641444
3-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 115992208
N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-2-sulfonamide
CID 75511278
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
2-chloro-5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055614

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide (CID 62640214) is 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is CNc1ccccc1S(=O)(=O)NCCN(C)C(C)C.
What is the InChIKey of 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is XBNPEAMCHAXUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-11(2)16(4)10-9-15-19(17,18)13-8-6-5-7-12(13)14-3/h5-8,11,14-15H,9-10H2,1-4H3.
What are the key properties of 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide?
2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62640214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).