N-[2-(methylamino)propyl]benzenesulfonamide

C10H16N2O2S — CID 103512552

IUPACN-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H16N2O2S/c1-9(11-2)8-12-15(13,14)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyLXXOBLUSNNIJLW-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.57
Rot. Bonds5

About N-[2-(methylamino)propyl]benzenesulfonamide

N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 103512552) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID103512552
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H16N2O2S/c1-9(11-2)8-12-15(13,14)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChIKeyLXXOBLUSNNIJLW-UHFFFAOYSA-N
XLogP0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-3-propan-2-ylbenzenesulfonamide
CID 120824992
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
N-[2-(methylamino)propyl]-2-phenylbenzenesulfonamide;hydrochloride
CID 120825515
N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
CID 58821622
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
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]benzenesulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]benzenesulfonamide (CID 103512552) is N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is LXXOBLUSNNIJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-9(11-2)8-12-15(13,14)10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3.
What are the key properties of N-[2-(methylamino)propyl]benzenesulfonamide?
N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 103512552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).