N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide

C15H21N3O2S — CID 104773510

IUPACN-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-4-18(15(2,3)11-16)21(19,20)14-9-5-8-13-12(14)7-6-10-17-13/h5-10H,4,11,16H2,1-3H3
InChIKeyZEPUDWDMFRMDEH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.98
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide

N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide (PubChem CID 104773510) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
PubChem CID104773510
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
SMILESCCN(C(C)(C)CN)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C15H21N3O2S/c1-4-18(15(2,3)11-16)21(19,20)14-9-5-8-13-12(14)7-6-10-17-13/h5-10H,4,11,16H2,1-3H3
InChIKeyZEPUDWDMFRMDEH-UHFFFAOYSA-N
XLogP1.98
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 115902785
N-(1-amino-2-methylpropan-2-yl)-N-ethylpyridine-3-sulfonamide
CID 62010247
N-[3-(aminomethyl)pentan-3-yl]quinoline-5-sulfonamide
CID 86780686
N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 104774274
N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
CID 113451725
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 62008042
N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
CID 104774115
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylquinoline-5-sulfonamide
CID 71997450
2-methyl-2-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773637
2-methyl-2-methylsulfonyl-1-quinolin-5-ylpropan-1-amine
CID 105020159
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide
CID 99801739

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide (CID 104773510) is N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide is CCN(C(C)(C)CN)S(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide?
The InChIKey is ZEPUDWDMFRMDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-18(15(2,3)11-16)21(19,20)14-9-5-8-13-12(14)7-6-10-17-13/h5-10H,4,11,16H2,1-3H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide?
N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide is sourced from PubChem (CID 104773510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).