3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline

C10H17N3O2S — CID 114803317

IUPAC3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
SMILESCC(C)NS(=O)(=O)Nc1cccc(CN)c1
InChIInChI=1S/C10H17N3O2S/c1-8(2)12-16(14,15)13-10-5-3-4-9(6-10)7-11/h3-6,8,12-13H,7,11H2,1-2H3
InChIKeyOFWKXHWSQUWHAS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.80
Rot. Bonds5

About 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline

3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline (PubChem CID 114803317) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
PubChem CID114803317
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline
SMILESCC(C)NS(=O)(=O)Nc1cccc(CN)c1
InChIInChI=1S/C10H17N3O2S/c1-8(2)12-16(14,15)13-10-5-3-4-9(6-10)7-11/h3-6,8,12-13H,7,11H2,1-2H3
InChIKeyOFWKXHWSQUWHAS-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(propan-2-ylsulfamoylamino)phenyl]propanoic acid
CID 114806847
N-[3-(aminomethyl)phenyl]methanesulfonamide
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CID 47003536
1-(aminomethyl)-3-(diethylsulfamoylamino)benzene
CID 28783219
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-(2-methoxyethylsulfamoyl)-3-[(propan-2-ylamino)methyl]aniline
CID 106911371
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
N-[3-(aminomethyl)phenyl]-4-(cyanomethyl)benzenesulfonamide
CID 79203393
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline?
The IUPAC name of 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline (CID 114803317) is 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline is CC(C)NS(=O)(=O)Nc1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline?
The InChIKey is OFWKXHWSQUWHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-8(2)12-16(14,15)13-10-5-3-4-9(6-10)7-11/h3-6,8,12-13H,7,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline?
3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline has a molecular weight of 243.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(propan-2-ylsulfamoyl)aniline is sourced from PubChem (CID 114803317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).