N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride

C15H22ClN3O2S — CID 119991402

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc2cccnc12.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-15(2,10-16)11-18(3)21(19,20)13-8-4-6-12-7-5-9-17-14(12)13;/h4-9H,10-11,16H2,1-3H3;1H
InChIKeyAQGOUGOSDUFGOM-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.26
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride (PubChem CID 119991402) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
PubChem CID119991402
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc2cccnc12.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-15(2,10-16)11-18(3)21(19,20)13-8-4-6-12-7-5-9-17-14(12)13;/h4-9H,10-11,16H2,1-3H3;1H
InChIKeyAQGOUGOSDUFGOM-UHFFFAOYSA-N
XLogP2.26
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride (CID 119991402) is N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1cccc2cccnc12.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride?
The InChIKey is AQGOUGOSDUFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-15(2,10-16)11-18(3)21(19,20)13-8-4-6-12-7-5-9-17-14(12)13;/h4-9H,10-11,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 119991402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).