N-[4-(aminomethyl)phenyl]propane-1-sulfonamide

C10H16N2O2S — CID 11002376

IUPACN-[4-(aminomethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-7-15(13,14)12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKeyJOECSINEEMOPPH-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.30
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]propane-1-sulfonamide

N-[4-(aminomethyl)phenyl]propane-1-sulfonamide (PubChem CID 11002376) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]propane-1-sulfonamide
PubChem CID11002376
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[4-(aminomethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C10H16N2O2S/c1-2-7-15(13,14)12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3
InChIKeyJOECSINEEMOPPH-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63834583
2-amino-N-(4-propylphenyl)ethanesulfonamide
CID 43378670
N-[4-[(dimethylamino)methyl]phenyl]propane-1-sulfonamide
CID 64585715
2-amino-N-(4-butylphenyl)ethanesulfonamide
CID 43378477
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
4-(aminomethyl)-N-(methylsulfamoyl)aniline
CID 112704468
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[4-[(1S)-1-aminoethyl]phenyl]propane-1-sulfonamide
CID 30120117
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[4-(4-amino-2-methylbutan-2-yl)phenyl]propane-1-sulfonamide
CID 79830757

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]propane-1-sulfonamide (CID 11002376) is N-[4-(aminomethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]propane-1-sulfonamide?
The InChIKey is JOECSINEEMOPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-7-15(13,14)12-10-5-3-9(8-11)4-6-10/h3-6,12H,2,7-8,11H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]propane-1-sulfonamide?
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 11002376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).