N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide

C14H18N2O3S — CID 115902785

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H18N2O3S/c1-14(2,10-17)16(3)20(18,19)13-8-4-7-12-11(13)6-5-9-15-12/h4-9,17H,10H2,1-3H3
InChIKeyOQTKIIXEKIAIRW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.63
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide (PubChem CID 115902785) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
PubChem CID115902785
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C14H18N2O3S/c1-14(2,10-17)16(3)20(18,19)13-8-4-7-12-11(13)6-5-9-15-12/h4-9,17H,10H2,1-3H3
InChIKeyOQTKIIXEKIAIRW-UHFFFAOYSA-N
XLogP1.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 106594895
N-(2-bromopropyl)-N-methylquinoline-5-sulfonamide
CID 113451725
N-(1-amino-2-methylpropan-2-yl)-N-ethylquinoline-5-sulfonamide
CID 104773510
N-(1-chloropropan-2-yl)-N-methylquinoline-5-sulfonamide
CID 104774274
N'-hydroxy-2-[methyl(quinolin-5-ylsulfonyl)amino]ethanimidamide
CID 104774115
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-5-sulfonamide
CID 104774035
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(2,2-difluoroethyl)-N-(4-fluorophenyl)quinoline-5-sulfonamide
CID 99801739
N-[(2R)-1-hydroxybutan-2-yl]quinoline-5-sulfonamide
CID 103918665
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide (CID 115902785) is N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide is CN(C(C)(C)CO)S(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide?
The InChIKey is OQTKIIXEKIAIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(2,10-17)16(3)20(18,19)13-8-4-7-12-11(13)6-5-9-15-12/h4-9,17H,10H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-N-methylquinoline-5-sulfonamide is sourced from PubChem (CID 115902785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).