3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide

C13H22N4O2S — CID 83004536

IUPAC3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide
SMILESCC1CCCC(C)N1Nc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C13H22N4O2S/c1-9-4-3-5-10(2)17(9)16-13-7-6-11(8-12(13)14)20(15,18)19/h6-10,16H,3-5,14H2,1-2H3,(H2,15,18,19)
InChIKeyCIUXZFJKZXCRQY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds3

About 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide

3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide (PubChem CID 83004536) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide
PubChem CID83004536
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide
SMILESCC1CCCC(C)N1Nc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C13H22N4O2S/c1-9-4-3-5-10(2)17(9)16-13-7-6-11(8-12(13)14)20(15,18)19/h6-10,16H,3-5,14H2,1-2H3,(H2,15,18,19)
InChIKeyCIUXZFJKZXCRQY-UHFFFAOYSA-N
XLogP1.51
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(propan-2-ylamino)benzenesulfonamide
CID 43153415
3-amino-4-(cyclopent-3-en-1-ylamino)benzenesulfonamide
CID 113474954
3-amino-4-[(3-ethyl-2-methylcyclopentyl)amino]benzenesulfonamide
CID 64922106
3-amino-4-(1-cyclohexylpropylamino)benzenesulfonamide
CID 62407684
2-bromo-5-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 115328626
3-amino-4-(2-methylbutan-2-ylamino)benzenesulfonamide
CID 43153449
4-amino-3-[(3-methylcyclohexyl)amino]benzenesulfonamide
CID 82907463
6-N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-5,6-diamine
CID 107490807
3-amino-4-[(1-ethylcyclobutyl)amino]benzenesulfonamide
CID 113488592
3-amino-4-[(2-methoxy-2-methylpropyl)amino]benzenesulfonamide
CID 113449899
N-[4-(difluoromethylsulfonyl)phenyl]-2,6-dimethylpiperidin-1-amine
CID 83018216
3-amino-4-[(2,2-dimethyloxan-4-yl)amino]benzenesulfonamide
CID 83027581

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide?
The IUPAC name of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide (CID 83004536) is 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide is CC1CCCC(C)N1Nc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide?
The InChIKey is CIUXZFJKZXCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-4-3-5-10(2)17(9)16-13-7-6-11(8-12(13)14)20(15,18)19/h6-10,16H,3-5,14H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide?
3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,6-dimethylpiperidin-1-yl)amino]benzenesulfonamide is sourced from PubChem (CID 83004536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).