N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide

C15H18N2O2S — CID 95933685

IUPACN-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C2CC2)c2cccnc12
InChIInChI=1S/C15H18N2O2S/c1-10-5-8-14(13-4-3-9-16-15(10)13)20(18,19)17-11(2)12-6-7-12/h3-5,8-9,11-12,17H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyNNCUPXUKIYBBJE-NSHDSACASA-N
MW290.39 g/mol
LogP2.62
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide

N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide (PubChem CID 95933685) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
PubChem CID95933685
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](C)C2CC2)c2cccnc12
InChIInChI=1S/C15H18N2O2S/c1-10-5-8-14(13-4-3-9-16-15(10)13)20(18,19)17-11(2)12-6-7-12/h3-5,8-9,11-12,17H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyNNCUPXUKIYBBJE-NSHDSACASA-N
XLogP2.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-8-methylquinoline-5-sulfonamide
CID 120585095
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
(2R)-2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 103862690
2-[(8-methylquinolin-5-yl)sulfonylamino]butanoic acid
CID 104773542
N-hex-5-yn-3-yl-8-methylquinoline-5-sulfonamide
CID 115650497
8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
CID 104774085
N-(1-amino-3-methoxypropan-2-yl)-8-methylquinoline-5-sulfonamide
CID 106181485
1-[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]ethanamine
CID 119974886
3-(1-cyclopropylethylsulfamoyl)pyridine-2-carbothioamide
CID 106596618
2-[(8-methylquinolin-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 134002702
N-(2-amino-3-methylbutyl)-8-methylquinoline-5-sulfonamide;hydrochloride
CID 84591254

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide (CID 95933685) is N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](C)C2CC2)c2cccnc12.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide?
The InChIKey is NNCUPXUKIYBBJE-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-5-8-14(13-4-3-9-16-15(10)13)20(18,19)17-11(2)12-6-7-12/h3-5,8-9,11-12,17H,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide?
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 95933685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).