4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide

C15H25N3O2S — CID 61125705

IUPAC4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)(C)N1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)18-10-8-13(9-11-18)17-21(19,20)14-6-4-12(16)5-7-14/h4-7,13,17H,8-11,16H2,1-3H3
InChIKeyFYQJHPBVIQLVFB-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide

4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide (PubChem CID 61125705) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide
PubChem CID61125705
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide
SMILESCC(C)(C)N1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N3O2S/c1-15(2,3)18-10-8-13(9-11-18)17-21(19,20)14-6-4-12(16)5-7-14/h4-7,13,17H,8-11,16H2,1-3H3
InChIKeyFYQJHPBVIQLVFB-UHFFFAOYSA-N
XLogP1.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.81
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 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide (CID 61125705) is 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide is CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is FYQJHPBVIQLVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-15(2,3)18-10-8-13(9-11-18)17-21(19,20)14-6-4-12(16)5-7-14/h4-7,13,17H,8-11,16H2,1-3H3.
What are the key properties of 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide?
4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-tert-butylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 61125705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).