5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide

C13H21N3O2S — CID 79897251

IUPAC5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCCC(C)C2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-9-4-3-5-16(8-9)12-6-11(14)7-13(10(12)2)19(15,17)18/h6-7,9H,3-5,8,14H2,1-2H3,(H2,15,17,18)
InChIKeyOICBCRNPFJOFBI-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.46
Rot. Bonds2

About 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide

5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide (PubChem CID 79897251) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
PubChem CID79897251
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide
SMILESCc1c(N2CCCC(C)C2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O2S/c1-9-4-3-5-16(8-9)12-6-11(14)7-13(10(12)2)19(15,17)18/h6-7,9H,3-5,8,14H2,1-2H3,(H2,15,17,18)
InChIKeyOICBCRNPFJOFBI-UHFFFAOYSA-N
XLogP1.46
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-(3-ethoxypiperidin-1-yl)-2-methylbenzenesulfonamide
CID 79900397
5-amino-3-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbenzenesulfonamide
CID 102955514
5-amino-2-methyl-3-(4-propan-2-ylpiperidin-1-yl)benzenesulfonamide
CID 103505164
4-methyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid
CID 70606869
5-amino-2-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 79896990
5-amino-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)benzenesulfonamide
CID 79905007
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrrolidine-2-carboxamide
CID 79896461
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554
2-methyl-3-(3-methylpiperidin-1-yl)aniline
CID 63076229
5-amino-2-(3-methoxypiperidin-1-yl)benzenesulfonamide
CID 102955753
5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 79900084

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide (CID 79897251) is 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide is Cc1c(N2CCCC(C)C2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
The InChIKey is OICBCRNPFJOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-4-3-5-16(8-9)12-6-11(14)7-13(10(12)2)19(15,17)18/h6-7,9H,3-5,8,14H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide?
5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(3-methylpiperidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 79897251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).