4-(aminomethyl)-N-(methylsulfamoyl)aniline

C8H13N3O2S — CID 112704468

IUPAC4-(aminomethyl)-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C8H13N3O2S/c1-10-14(12,13)11-8-4-2-7(6-9)3-5-8/h2-5,10-11H,6,9H2,1H3
InChIKeyDQDPGBHPHJJYBI-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.02
Rot. Bonds4

About 4-(aminomethyl)-N-(methylsulfamoyl)aniline

4-(aminomethyl)-N-(methylsulfamoyl)aniline (PubChem CID 112704468) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(methylsulfamoyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(methylsulfamoyl)aniline
PubChem CID112704468
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name4-(aminomethyl)-N-(methylsulfamoyl)aniline
SMILESCNS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C8H13N3O2S/c1-10-14(12,13)11-8-4-2-7(6-9)3-5-8/h2-5,10-11H,6,9H2,1H3
InChIKeyDQDPGBHPHJJYBI-UHFFFAOYSA-N
XLogP0.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 16643195
N-[4-(aminomethyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63834583
ethane;N-(methylsulfamoyl)aniline
CID 91119809
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
N-[4-(aminomethyl)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28754462
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
CID 114803317
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
3-(3-aminoprop-1-ynyl)-N-(methylsulfamoyl)aniline
CID 114812051

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(methylsulfamoyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-(methylsulfamoyl)aniline (CID 112704468) is 4-(aminomethyl)-N-(methylsulfamoyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-(methylsulfamoyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-(methylsulfamoyl)aniline is CNS(=O)(=O)Nc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(methylsulfamoyl)aniline?
The InChIKey is DQDPGBHPHJJYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-10-14(12,13)11-8-4-2-7(6-9)3-5-8/h2-5,10-11H,6,9H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(methylsulfamoyl)aniline?
4-(aminomethyl)-N-(methylsulfamoyl)aniline has a molecular weight of 215.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(methylsulfamoyl)aniline is sourced from PubChem (CID 112704468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).