3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide

C14H23N3O2S — CID 62547629

IUPAC3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-11-13(15)7-4-8-14(11)20(18,19)17(3)12-6-5-9-16(2)10-12/h4,7-8,12H,5-6,9-10,15H2,1-3H3
InChIKeyGTBCFBJHDGKKSW-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.29
Rot. Bonds3

About 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide

3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 62547629) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID62547629
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)N(C)C1CCCN(C)C1
InChIInChI=1S/C14H23N3O2S/c1-11-13(15)7-4-8-14(11)20(18,19)17(3)12-6-5-9-16(2)10-12/h4,7-8,12H,5-6,9-10,15H2,1-3H3
InChIKeyGTBCFBJHDGKKSW-UHFFFAOYSA-N
XLogP1.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63275930
4-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62545685
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 62546273
3-amino-N,2-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 43296364
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
5-amino-2-bromo-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 65206502
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62547305
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
2-[(3-amino-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 61108810
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide (CID 62547629) is 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)N(C)C1CCCN(C)C1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is GTBCFBJHDGKKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-13(15)7-4-8-14(11)20(18,19)17(3)12-6-5-9-16(2)10-12/h4,7-8,12H,5-6,9-10,15H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide?
3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 62547629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).