N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride

C15H22ClN3O2S — CID 84591254

IUPACN-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC(N)C(C)C)c2cccnc12.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-10(2)13(16)9-18-21(19,20)14-7-6-11(3)15-12(14)5-4-8-17-15;/h4-8,10,13,18H,9,16H2,1-3H3;1H
InChIKeyPAKJQSRWHNPIQQ-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.23
Rot. Bonds5

About N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride

N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride (PubChem CID 84591254) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
PubChem CID84591254
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC NameN-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCC(N)C(C)C)c2cccnc12.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-10(2)13(16)9-18-21(19,20)14-7-6-11(3)15-12(14)5-4-8-17-15;/h4-8,10,13,18H,9,16H2,1-3H3;1H
InChIKeyPAKJQSRWHNPIQQ-UHFFFAOYSA-N
XLogP2.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591258
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
2-[(8-methylquinolin-5-yl)sulfonylamino]ethanethioamide
CID 104773629
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
CID 134002347
8-methyl-N-(2-pyridin-2-ylethyl)quinoline-5-sulfonamide
CID 134034355
3-[(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774314
2-[(8-methylquinolin-5-yl)sulfonylamino]oxyacetamide
CID 113451704
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
8-methyl-N-(pyrrolidin-2-ylmethyl)quinoline-5-sulfonamide;hydrochloride
CID 119974304
N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
CID 106181485
N-(1H-imidazol-5-ylmethyl)-8-methylquinoline-5-sulfonamide
CID 104774039

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride (CID 84591254) is N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCC(N)C(C)C)c2cccnc12.Cl.
What is the InChIKey of N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
The InChIKey is PAKJQSRWHNPIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-10(2)13(16)9-18-21(19,20)14-7-6-11(3)15-12(14)5-4-8-17-15;/h4-8,10,13,18H,9,16H2,1-3H3;1H.
What are the key properties of N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride?
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride is sourced from PubChem (CID 84591254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).