2-propan-2-yl-8-(sulfamoylamino)quinoline

C12H15N3O2S — CID 134285696

IUPAC2-propan-2-yl-8-(sulfamoylamino)quinoline
SMILESCC(C)c1ccc2cccc(NS(N)(=O)=O)c2n1
InChIInChI=1S/C12H15N3O2S/c1-8(2)10-7-6-9-4-3-5-11(12(9)14-10)15-18(13,16)17/h3-8,15H,1-2H3,(H2,13,16,17)
InChIKeyKUKLNOPOJFVBSV-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.97
Rot. Bonds3

About 2-propan-2-yl-8-(sulfamoylamino)quinoline

2-propan-2-yl-8-(sulfamoylamino)quinoline (PubChem CID 134285696) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-propan-2-yl-8-(sulfamoylamino)quinoline.

Molecular Properties

Compound Name2-propan-2-yl-8-(sulfamoylamino)quinoline
PubChem CID134285696
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name2-propan-2-yl-8-(sulfamoylamino)quinoline
SMILESCC(C)c1ccc2cccc(NS(N)(=O)=O)c2n1
InChIInChI=1S/C12H15N3O2S/c1-8(2)10-7-6-9-4-3-5-11(12(9)14-10)15-18(13,16)17/h3-8,15H,1-2H3,(H2,13,16,17)
InChIKeyKUKLNOPOJFVBSV-UHFFFAOYSA-N
XLogP1.97
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-(sulfamoylamino)quinoline
CID 112573710
2-propan-2-ylquinolin-8-ol
CID 4218732
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
N-(2-methylquinolin-8-yl)ethanesulfonamide
CID 64584373
(2-propan-2-ylquinolin-8-yl) acetate
CID 134285695
2-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734195
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
ethane;2-propan-2-ylquinoline
CID 142538504
8-methyl-4,12-di(propan-2-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67988424
methane;2-propan-2-ylquinoline
CID 161334581
(2-methylquinolin-8-yl)hydrazine
CID 957615
4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 151982031

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-8-(sulfamoylamino)quinoline?
The IUPAC name of 2-propan-2-yl-8-(sulfamoylamino)quinoline (CID 134285696) is 2-propan-2-yl-8-(sulfamoylamino)quinoline.
What is the SMILES notation for 2-propan-2-yl-8-(sulfamoylamino)quinoline?
The canonical SMILES for 2-propan-2-yl-8-(sulfamoylamino)quinoline is CC(C)c1ccc2cccc(NS(N)(=O)=O)c2n1.
What is the InChIKey of 2-propan-2-yl-8-(sulfamoylamino)quinoline?
The InChIKey is KUKLNOPOJFVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8(2)10-7-6-9-4-3-5-11(12(9)14-10)15-18(13,16)17/h3-8,15H,1-2H3,(H2,13,16,17).
What are the key properties of 2-propan-2-yl-8-(sulfamoylamino)quinoline?
2-propan-2-yl-8-(sulfamoylamino)quinoline has a molecular weight of 265.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-8-(sulfamoylamino)quinoline is sourced from PubChem (CID 134285696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).