N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide

C17H23N3O2S — CID 120585095

IUPACN-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN)C2CCCC2)c2cccnc12
InChIInChI=1S/C17H23N3O2S/c1-12-8-9-16(14-7-4-10-19-17(12)14)23(21,22)20-15(11-18)13-5-2-3-6-13/h4,7-10,13,15,20H,2-3,5-6,11,18H2,1H3
InChIKeyBMYLHMORRZTKBM-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.34
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide

N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide (PubChem CID 120585095) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
PubChem CID120585095
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC(CN)C2CCCC2)c2cccnc12
InChIInChI=1S/C17H23N3O2S/c1-12-8-9-16(14-7-4-10-19-17(12)14)23(21,22)20-15(11-18)13-5-2-3-6-13/h4,7-10,13,15,20H,2-3,5-6,11,18H2,1H3
InChIKeyBMYLHMORRZTKBM-UHFFFAOYSA-N
XLogP2.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(p-Toluenesulfonylamino)quinoline
CID 82533
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
9-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 16759925
N-(4-isopropylphenyl)quinoline-8-sulfonamide
CID 4093866
2,4,6-trimethyl-N-(quinolin-8-yl)benzene-1-sulfonamide
CID 739450
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
4-methyl-N-quinolin-6-ylbenzenesulfonamide
CID 268975
1-(2,4,6-Trimethylphenyl)sulfonylindole
CID 919981
Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-8-quinolinyl-
CID 1069411
Lopac-I-1392
CID 6603882
N-(1-(1H-indol-3-yl)propan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 9820084

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide (CID 120585095) is N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC(CN)C2CCCC2)c2cccnc12.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide?
The InChIKey is BMYLHMORRZTKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-8-9-16(14-7-4-10-19-17(12)14)23(21,22)20-15(11-18)13-5-2-3-6-13/h4,7-10,13,15,20H,2-3,5-6,11,18H2,1H3.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide?
N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 120585095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).