N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride

C15H22ClN3O2S — CID 119991474

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc2ncccc12.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-15(2,10-16)11-18(3)21(19,20)14-8-4-7-13-12(14)6-5-9-17-13;/h4-9H,10-11,16H2,1-3H3;1H
InChIKeyAWBVLUKSAPBGDE-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.26
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride (PubChem CID 119991474) 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-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
PubChem CID119991474
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc2ncccc12.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-15(2,10-16)11-18(3)21(19,20)14-8-4-7-13-12(14)6-5-9-17-13;/h4-9H,10-11,16H2,1-3H3;1H
InChIKeyAWBVLUKSAPBGDE-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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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
CID 104773510
N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
CID 104774115
N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
CID 79646274
N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
CID 113451725
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-nitroquinoline-8-sulfonamide;hydrochloride
CID 120712188
N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 115902785
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-(3-amino-2,2-dimethylpropyl)-4-ethoxy-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 119991807
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-5-sulfonamide
CID 104774035
N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 104774274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride (CID 119991474) is N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride is CN(CC(C)(C)CN)S(=O)(=O)c1cccc2ncccc12.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride?
The InChIKey is AWBVLUKSAPBGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-15(2,10-16)11-18(3)21(19,20)14-8-4-7-13-12(14)6-5-9-17-13;/h4-9H,10-11,16H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-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-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119991474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).