2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

C15H25N3O2S — CID 107116779

IUPAC2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCC1CCN(c2cccc(S(=O)(=O)N(C)C)c2N)CC1C
InChIInChI=1S/C15H25N3O2S/c1-11-8-9-18(10-12(11)2)13-6-5-7-14(15(13)16)21(19,20)17(3)4/h5-7,11-12H,8-10,16H2,1-4H3
InChIKeyFLCWTMHEKRNPKL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide

2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 107116779) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID107116779
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
SMILESCC1CCN(c2cccc(S(=O)(=O)N(C)C)c2N)CC1C
InChIInChI=1S/C15H25N3O2S/c1-11-8-9-18(10-12(11)2)13-6-5-7-14(15(13)16)21(19,20)17(3)4/h5-7,11-12H,8-10,16H2,1-4H3
InChIKeyFLCWTMHEKRNPKL-UHFFFAOYSA-N
XLogP2.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.00
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

2-amino-3-(azepan-1-yl)-N,N-dimethylbenzenesulfonamide
CID 107115405
2-amino-N,N-dimethyl-3-piperazin-1-ylbenzenesulfonamide
CID 107116226
2-amino-3-(3,4-dimethylpyrrolidin-1-yl)benzenesulfonamide
CID 112674981
2-amino-3-[4-(dimethylamino)piperidin-1-yl]benzenesulfonamide
CID 115992384
2-amino-N,N-dimethyl-3-(1,2-oxazolidin-2-yl)benzenesulfonamide
CID 107116642
1-[2-(dimethylsulfamoyl)phenyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721572
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 115966620
2-[4-(bromomethyl)piperidin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 80668840
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenesulfonamide
CID 104957789
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
2-amino-N,N-dimethyl-3-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 107116898
3-methyl-1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-ol
CID 114680817

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide (CID 107116779) is 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is CC1CCN(c2cccc(S(=O)(=O)N(C)C)c2N)CC1C.
What is the InChIKey of 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is FLCWTMHEKRNPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11-8-9-18(10-12(11)2)13-6-5-7-14(15(13)16)21(19,20)17(3)4/h5-7,11-12H,8-10,16H2,1-4H3.
What are the key properties of 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethylpiperidin-1-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107116779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).