N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride

C15H20ClN3O2S — CID 119986825

IUPACN-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NC(CN)C3CC3)cccc2c1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-7-12-3-2-4-14(15(12)17-9-10)21(19,20)18-13(8-16)11-5-6-11;/h2-4,7,9,11,13,18H,5-6,8,16H2,1H3;1H
InChIKeyQQBWLQLMBXXVSA-UHFFFAOYSA-N
MW341.86 g/mol
LogP1.98
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride (PubChem CID 119986825) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
PubChem CID119986825
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)NC(CN)C3CC3)cccc2c1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-7-12-3-2-4-14(15(12)17-9-10)21(19,20)18-13(8-16)11-5-6-11;/h2-4,7,9,11,13,18H,5-6,8,16H2,1H3;1H
InChIKeyQQBWLQLMBXXVSA-UHFFFAOYSA-N
XLogP1.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-3-methylquinoline-8-sulfonamide
CID 120585099
N-(2-amino-1-cyclopentylethyl)quinoline-8-sulfonamide;hydrochloride
CID 120584995
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-[(2S)-1-hydroxybutan-2-yl]-3-methylquinoline-8-sulfonamide
CID 104981956
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023
3-methyl-N-piperidin-4-ylquinoline-8-sulfonamide;hydrochloride
CID 119960624
3-methyl-N-(pyrrolidin-3-ylmethyl)quinoline-8-sulfonamide
CID 80562775
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]quinoline-8-sulfonamide
CID 86804960
3-[(3-methylquinolin-8-yl)sulfonylamino]-2-(oxan-4-yl)propanoic acid
CID 132972500
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
CID 119982695
3-methyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]quinoline-8-sulfonamide
CID 36530929

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride (CID 119986825) is N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride is Cc1cnc2c(S(=O)(=O)NC(CN)C3CC3)cccc2c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride?
The InChIKey is QQBWLQLMBXXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-10-7-12-3-2-4-14(15(12)17-9-10)21(19,20)18-13(8-16)11-5-6-11;/h2-4,7,9,11,13,18H,5-6,8,16H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 1.98, 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-cyclopropylethyl)-3-methylquinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 119986825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).