2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide

C15H20N2O3S — CID 65012972

IUPAC2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide
SMILESCCCC(COc1cccc2cccnc12)CS(N)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-2-5-12(11-21(16,18)19)10-20-14-8-3-6-13-7-4-9-17-15(13)14/h3-4,6-9,12H,2,5,10-11H2,1H3,(H2,16,18,19)
InChIKeyNRILOTATDGUYCO-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.32
Rot. Bonds7

About 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide

2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide (PubChem CID 65012972) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide
PubChem CID65012972
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide
SMILESCCCC(COc1cccc2cccnc12)CS(N)(=O)=O
InChIInChI=1S/C15H20N2O3S/c1-2-5-12(11-21(16,18)19)10-20-14-8-3-6-13-7-4-9-17-15(13)14/h3-4,6-9,12H,2,5,10-11H2,1H3,(H2,16,18,19)
InChIKeyNRILOTATDGUYCO-UHFFFAOYSA-N
XLogP2.32
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
2-[(2-bromo-4-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012663
2-ethoxy-3-quinolin-8-yloxypropan-1-amine
CID 63070438
[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172
2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
CID 65012504
3-N,3-N-dimethyl-4-quinolin-8-yloxybutane-1,3-diamine
CID 112501008
2-(quinolin-7-yloxymethyl)butane-1-sulfonamide
CID 107315542
N-ethyl-1-quinolin-8-yloxybutan-2-amine
CID 62039773
3-(ethylamino)-4-quinolin-8-yloxybutan-1-ol
CID 64899512
2-(ethylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64805310
quinolin-8-yl 2-ethylhexanoate
CID 163430049
2-(methylamino)-3-quinolin-8-yloxypropan-1-ol
CID 64803231

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide?
The IUPAC name of 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide (CID 65012972) is 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide.
What is the SMILES notation for 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide?
The canonical SMILES for 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide is CCCC(COc1cccc2cccnc12)CS(N)(=O)=O.
What is the InChIKey of 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide?
The InChIKey is NRILOTATDGUYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-5-12(11-21(16,18)19)10-20-14-8-3-6-13-7-4-9-17-15(13)14/h3-4,6-9,12H,2,5,10-11H2,1H3,(H2,16,18,19).
What are the key properties of 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide?
2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide has a molecular weight of 308.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-8-yloxymethyl)pentane-1-sulfonamide is sourced from PubChem (CID 65012972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).