2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid

C10H14N2O4S — CID 81091134

IUPAC2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
SMILESNCc1ccc(CNS(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C10H14N2O4S/c11-5-8-1-3-9(4-2-8)6-12-17(15,16)7-10(13)14/h1-4,12H,5-7,11H2,(H,13,14)
InChIKeyQAGWHLUQMSXCNV-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.35
Rot. Bonds6

About 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid

2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid (PubChem CID 81091134) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
PubChem CID81091134
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid
SMILESNCc1ccc(CNS(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C10H14N2O4S/c11-5-8-1-3-9(4-2-8)6-12-17(15,16)7-10(13)14/h1-4,12H,5-7,11H2,(H,13,14)
InChIKeyQAGWHLUQMSXCNV-UHFFFAOYSA-N
XLogP-0.35
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxyphenyl)methylsulfamoyl]acetic acid
CID 114331325
2-[(3-bromophenyl)methylsulfamoyl]acetic acid
CID 61401339
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
CID 43361997
N-[[4-(aminomethyl)phenyl]methyl]-2-ethoxyethanesulfonamide
CID 63245940
methyl 2-(benzylsulfamoyl)acetate
CID 130159397
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
2-[4-[[(2,6-dimethylphenyl)methylsulfonylamino]methyl]phenyl]acetic acid
CID 167851701
4-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845586
1-(aminomethyl)-4-[(diethylsulfamoylamino)methyl]benzene
CID 54936307
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 70094597
3-[4-[(ethylsulfonylamino)methyl]anilino]-3-oxopropanoic acid
CID 21074179
4-[(4-methylphenyl)methylsulfamoyl]butanoic acid
CID 28513518

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid?
The IUPAC name of 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid (CID 81091134) is 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid is NCc1ccc(CNS(=O)(=O)CC(=O)O)cc1.
What is the InChIKey of 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid?
The InChIKey is QAGWHLUQMSXCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c11-5-8-1-3-9(4-2-8)6-12-17(15,16)7-10(13)14/h1-4,12H,5-7,11H2,(H,13,14).
What are the key properties of 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid?
2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid has a molecular weight of 258.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)phenyl]methylsulfamoyl]acetic acid is sourced from PubChem (CID 81091134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).