N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide

C13H22N2O3S — CID 120824310

IUPACN-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H22N2O3S/c1-10(2)18-12-5-7-13(8-6-12)19(16,17)15-9-11(3)14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyXROBLGCNVOFUGD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.36
Rot. Bonds7

About N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide

N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 120824310) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID120824310
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C13H22N2O3S/c1-10(2)18-12-5-7-13(8-6-12)19(16,17)15-9-11(3)14-4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyXROBLGCNVOFUGD-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-(2-piperidin-1-ylpropyl)-4-propan-2-yloxybenzenesulfonamide
CID 112502420
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
N-(2-hydroxy-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110663309
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
CID 112503236
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide (CID 120824310) is N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is XROBLGCNVOFUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10(2)18-12-5-7-13(8-6-12)19(16,17)15-9-11(3)14-4/h5-8,10-11,14-15H,9H2,1-4H3.
What are the key properties of N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 120824310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).