N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide

C11H18N2O2S — CID 62103601

IUPACN-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C11H18N2O2S/c1-3-6-16(14,15)13-11-7-10(8-12)5-4-9(11)2/h4-5,7,13H,3,6,8,12H2,1-2H3
InChIKeyQIPDLEMWJLQLCZ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.61
Rot. Bonds5

About N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide

N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide (PubChem CID 62103601) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
PubChem CID62103601
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(CN)ccc1C
InChIInChI=1S/C11H18N2O2S/c1-3-6-16(14,15)13-11-7-10(8-12)5-4-9(11)2/h4-5,7,13H,3,6,8,12H2,1-2H3
InChIKeyQIPDLEMWJLQLCZ-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
ethyl N-[[5-(aminomethyl)-2-methylphenyl]sulfamoyl]carbamate
CID 114461371
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028
N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 62104142
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
N-(2,5-dimethylphenyl)ethanesulfonamide
CID 902936
N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 62373444
5-(aminomethyl)-N-(5-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 28716515
2,2-difluoro-N-[4-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 122142219
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
CID 107592659

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide (CID 62103601) is N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(CN)ccc1C.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide?
The InChIKey is QIPDLEMWJLQLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-3-6-16(14,15)13-11-7-10(8-12)5-4-9(11)2/h4-5,7,13H,3,6,8,12H2,1-2H3.
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide?
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 62103601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).