8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide

C20H29N3O3S — CID 75390876

IUPAC8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide
SMILESCC(C)CCOC1CCCCC1Nc1ccc(S(N)(=O)=O)c2cccnc12
InChIInChI=1S/C20H29N3O3S/c1-14(2)11-13-26-18-8-4-3-7-16(18)23-17-9-10-19(27(21,24)25)15-6-5-12-22-20(15)17/h5-6,9-10,12,14,16,18,23H,3-4,7-8,11,13H2,1-2H3,(H2,21,24,25)
InChIKeyLATJXGXGPISQIP-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.67
Rot. Bonds7

About 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide

8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide (PubChem CID 75390876) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide
PubChem CID75390876
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide
SMILESCC(C)CCOC1CCCCC1Nc1ccc(S(N)(=O)=O)c2cccnc12
InChIInChI=1S/C20H29N3O3S/c1-14(2)11-13-26-18-8-4-3-7-16(18)23-17-9-10-19(27(21,24)25)15-6-5-12-22-20(15)17/h5-6,9-10,12,14,16,18,23H,3-4,7-8,11,13H2,1-2H3,(H2,21,24,25)
InChIKeyLATJXGXGPISQIP-UHFFFAOYSA-N
XLogP3.67
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-[(2R)-oxolan-2-yl]ethylamino]quinoline-5-sulfonamide
CID 95568609
8-N-(2-methylcyclopentyl)quinoline-5,8-diamine
CID 63277803
[2-[(5-aminoquinolin-8-yl)amino]cyclohexyl]methanol
CID 106359109
2-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62088243
8-[(E)-but-2-enoxy]quinoline-5-sulfonamide
CID 82921921
5-(cyclobutylmethoxy)quinoline-8-sulfonamide
CID 103045327
8-(3-fluoropropoxy)quinoline-5-sulfonamide
CID 81113157
5-propan-2-yloxyquinoline-8-sulfonamide
CID 103045315
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095
8-N-(3-ethylcyclohexyl)quinoline-5,8-diamine
CID 64749205
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide?
The IUPAC name of 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide (CID 75390876) is 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide.
What is the SMILES notation for 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide?
The canonical SMILES for 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide is CC(C)CCOC1CCCCC1Nc1ccc(S(N)(=O)=O)c2cccnc12.
What is the InChIKey of 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide?
The InChIKey is LATJXGXGPISQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-14(2)11-13-26-18-8-4-3-7-16(18)23-17-9-10-19(27(21,24)25)15-6-5-12-22-20(15)17/h5-6,9-10,12,14,16,18,23H,3-4,7-8,11,13H2,1-2H3,(H2,21,24,25).
What are the key properties of 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide?
8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide has a molecular weight of 391.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(3-methylbutoxy)cyclohexyl]amino]quinoline-5-sulfonamide is sourced from PubChem (CID 75390876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).