N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide

C18H26N2O2S — CID 23392955

IUPACN-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H26N2O2S/c1-5-13-20(14-11-18(2,3)4)23(21,22)16-10-6-8-15-9-7-12-19-17(15)16/h6-10,12H,5,11,13-14H2,1-4H3
InChIKeyXTNDAGPRCXBIEG-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.07
Rot. Bonds6

About N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide

N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide (PubChem CID 23392955) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
PubChem CID23392955
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC NameN-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H26N2O2S/c1-5-13-20(14-11-18(2,3)4)23(21,22)16-10-6-8-15-9-7-12-19-17(15)16/h6-10,12H,5,11,13-14H2,1-4H3
InChIKeyXTNDAGPRCXBIEG-UHFFFAOYSA-N
XLogP4.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-propylquinoline-8-sulfonamide
CID 56791454
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
N,N-bis(prop-2-enyl)quinoline-8-sulfonamide
CID 3546701
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
4-(dipropylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 132575418
N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbutanamide
CID 7573869
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N-butylquinoline-8-sulfonamide
CID 2068304
N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[propyl(quinolin-8-ylsulfonyl)amino]acetamide
CID 4576584
N-ethyl-1-quinolin-8-yl-N-(3,3,3-trifluoropropyl)methanesulfonamide
CID 75372180
8-methylsulfanylsulfonylquinoline
CID 913226

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide (CID 23392955) is N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide?
The InChIKey is XTNDAGPRCXBIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-5-13-20(14-11-18(2,3)4)23(21,22)16-10-6-8-15-9-7-12-19-17(15)16/h6-10,12H,5,11,13-14H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide?
N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide has a molecular weight of 334.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-propylquinoline-8-sulfonamide is sourced from PubChem (CID 23392955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).