3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide

C18H20N2O2S2 — CID 36530929

IUPAC3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N[C@@H](c3cccs3)C(C)C)cccc2c1
InChIInChI=1S/C18H20N2O2S2/c1-12(2)17(15-7-5-9-23-15)20-24(21,22)16-8-4-6-14-10-13(3)11-19-18(14)16/h4-12,17,20H,1-3H3/t17-/m1/s1
InChIKeySNRWLFPAWIZNSF-QGZVFWFLSA-N
MW360.50 g/mol
LogP4.28
Rot. Bonds5

About 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide

3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide (PubChem CID 36530929) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
PubChem CID36530929
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N[C@@H](c3cccs3)C(C)C)cccc2c1
InChIInChI=1S/C18H20N2O2S2/c1-12(2)17(15-7-5-9-23-15)20-24(21,22)16-8-4-6-14-10-13(3)11-19-18(14)16/h4-12,17,20H,1-3H3/t17-/m1/s1
InChIKeySNRWLFPAWIZNSF-QGZVFWFLSA-N
XLogP4.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
CID 119986825
N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
4-methyl-2-[[(3-methylquinolin-8-yl)sulfonylamino]methyl]pentanoic acid
CID 120660685
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
N'-(4,6-dimethylpyrimidin-2-yl)-3-methylquinoline-8-sulfonohydrazide
CID 30746930
2,4-dibromo-N-(2-methyl-1-thiophen-2-ylpropyl)benzenesulfonamide
CID 63420862
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-sulfonamide
CID 62157709
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide (CID 36530929) is 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)N[C@@H](c3cccs3)C(C)C)cccc2c1.
What is the InChIKey of 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide?
The InChIKey is SNRWLFPAWIZNSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-12(2)17(15-7-5-9-23-15)20-24(21,22)16-8-4-6-14-10-13(3)11-19-18(14)16/h4-12,17,20H,1-3H3/t17-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide?
3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide has a molecular weight of 360.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide is sourced from PubChem (CID 36530929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).