N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C15H18N4O2S — CID 133321544

IUPACN-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cc(C#N)nc2ccccc12)NS(C)(=O)=O
InChIInChI=1S/C15H18N4O2S/c1-15(2,19-22(3,20)21)10-17-14-8-11(9-16)18-13-7-5-4-6-12(13)14/h4-8,19H,10H2,1-3H3,(H,17,18)
InChIKeyMVPORAATJGWMPH-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.85
Rot. Bonds5

About N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 133321544) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID133321544
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNc1cc(C#N)nc2ccccc12)NS(C)(=O)=O
InChIInChI=1S/C15H18N4O2S/c1-15(2,19-22(3,20)21)10-17-14-8-11(9-16)18-13-7-5-4-6-12(13)14/h4-8,19H,10H2,1-3H3,(H,17,18)
InChIKeyMVPORAATJGWMPH-UHFFFAOYSA-N
XLogP1.85
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-cyanoquinolin-4-yl)amino]-2,2-dimethylpropanamide
CID 133318102
N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 133310166
4-[(2-hydroxy-3-methylpentyl)amino]quinoline-2-carbonitrile
CID 133352700
4-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-cyclopropylbenzenesulfonamide
CID 133317644
N-[1-(4-chloro-2-cyanoanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 63866308
4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
CID 133346689
4-[(1-tert-butylpiperidin-4-yl)amino]quinoline-2-carbonitrile
CID 133319575
4-[1-(4-cyanophenyl)ethylamino]quinoline-2-carbonitrile
CID 133310735
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053
4-[(2-ethoxy-4-pyridinyl)methylamino]quinoline-2-carbonitrile
CID 133316749
N-[2-methyl-1-(2-nitroanilino)propan-2-yl]methanesulfonamide
CID 63858648
4-(4-hydroxy-3-methylanilino)quinoline-2-carbonitrile
CID 146507150

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 133321544) is N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNc1cc(C#N)nc2ccccc12)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is MVPORAATJGWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-15(2,19-22(3,20)21)10-17-14-8-11(9-16)18-13-7-5-4-6-12(13)14/h4-8,19H,10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 133321544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).