2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide

C13H21N3O2S — CID 83012282

IUPAC2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NN2CCCCC2)cc1C
InChIInChI=1S/C13H21N3O2S/c1-10-8-12(14)13(9-11(10)2)19(17,18)15-16-6-4-3-5-7-16/h8-9,15H,3-7,14H2,1-2H3
InChIKeyRCXLLXYOZKVMFV-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide

2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 83012282) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide
PubChem CID83012282
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NN2CCCCC2)cc1C
InChIInChI=1S/C13H21N3O2S/c1-10-8-12(14)13(9-11(10)2)19(17,18)15-16-6-4-3-5-7-16/h8-9,15H,3-7,14H2,1-2H3
InChIKeyRCXLLXYOZKVMFV-UHFFFAOYSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide (CID 83012282) is 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide is Cc1cc(N)c(S(=O)(=O)NN2CCCCC2)cc1C.
What is the InChIKey of 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is RCXLLXYOZKVMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-8-12(14)13(9-11(10)2)19(17,18)15-16-6-4-3-5-7-16/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide?
2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 83012282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).