4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide

C13H21N3O2S — CID 114803176

IUPAC4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCC(N)c2ccccc21
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)15-19(17,18)16-9-8-11(14)10-6-4-5-7-12(10)16/h4-7,11,15H,8-9,14H2,1-3H3
InChIKeyWDNNFKIRHKJZTE-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.53
Rot. Bonds2

About 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide

4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide (PubChem CID 114803176) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide
PubChem CID114803176
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)N1CCC(N)c2ccccc21
InChIInChI=1S/C13H21N3O2S/c1-13(2,3)15-19(17,18)16-9-8-11(14)10-6-4-5-7-12(10)16/h4-7,11,15H,8-9,14H2,1-3H3
InChIKeyWDNNFKIRHKJZTE-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The IUPAC name of 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide (CID 114803176) is 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The canonical SMILES for 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide is CC(C)(C)NS(=O)(=O)N1CCC(N)c2ccccc21.
What is the InChIKey of 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
The InChIKey is WDNNFKIRHKJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(2,3)15-19(17,18)16-9-8-11(14)10-6-4-5-7-12(10)16/h4-7,11,15H,8-9,14H2,1-3H3.
What are the key properties of 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide?
4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-sulfonamide is sourced from PubChem (CID 114803176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).