quinoline-3-sulfinamide

C9H8N2OS — CID 167254753

IUPACquinoline-3-sulfinamide
SMILESNS(=O)c1cnc2ccccc2c1
InChIInChI=1S/C9H8N2OS/c10-13(12)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
InChIKeyPEPSQTCOHXEDTI-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.22
Rot. Bonds1

About quinoline-3-sulfinamide

quinoline-3-sulfinamide (PubChem CID 167254753) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is quinoline-3-sulfinamide.

Molecular Properties

Compound Namequinoline-3-sulfinamide
PubChem CID167254753
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Namequinoline-3-sulfinamide
SMILESNS(=O)c1cnc2ccccc2c1
InChIInChI=1S/C9H8N2OS/c10-13(12)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
InChIKeyPEPSQTCOHXEDTI-UHFFFAOYSA-N
XLogP1.22
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-prop-2-enylsulfinylquinoline
CID 67352224
CID 174439431
CID 174439431
quinoline-3-carboxamide;hydrofluoride
CID 174911514
4-quinolin-3-yloxybenzenesulfinic acid
CID 57445519
3-bromoquinoline;hydrobromide
CID 70190019
ethane;molecular hydrogen;quinolin-3-amine
CID 145187853
3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide
CID 121258443
3-[(sulfinatoamino)methyl]quinoline
CID 67383747
2-quinolin-3-ylsulfanylacetaldehyde
CID 90732729
3-quinolin-3-ylcyclobutan-1-amine
CID 116985150
quinoline-3-carboxylate
CID 4608508
N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
CID 139034507

Frequently Asked Questions

What is the IUPAC name of quinoline-3-sulfinamide?
The IUPAC name of quinoline-3-sulfinamide (CID 167254753) is quinoline-3-sulfinamide.
What is the SMILES notation for quinoline-3-sulfinamide?
The canonical SMILES for quinoline-3-sulfinamide is NS(=O)c1cnc2ccccc2c1.
What is the InChIKey of quinoline-3-sulfinamide?
The InChIKey is PEPSQTCOHXEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c10-13(12)8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2.
What are the key properties of quinoline-3-sulfinamide?
quinoline-3-sulfinamide has a molecular weight of 192.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-3-sulfinamide is sourced from PubChem (CID 167254753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).