3-[(sulfinatoamino)methyl]quinoline

C10H9N2O2S- — CID 67383747

IUPAC3-[(sulfinatoamino)methyl]quinoline
SMILESO=S([O-])NCc1cnc2ccccc2c1
InChIInChI=1S/C10H10N2O2S/c13-15(14)12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2,(H,13,14)/p-1
InChIKeyYQXCMPLLXJNFDQ-UHFFFAOYSA-M
MW221.26 g/mol
LogP1.12
Rot. Bonds3

About 3-[(sulfinatoamino)methyl]quinoline

3-[(sulfinatoamino)methyl]quinoline (PubChem CID 67383747) has the molecular formula C10H9N2O2S- and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(sulfinatoamino)methyl]quinoline.

Molecular Properties

Compound Name3-[(sulfinatoamino)methyl]quinoline
PubChem CID67383747
Molecular FormulaC10H9N2O2S-
Molecular Weight221.26 g/mol
Exact Mass221.04
IUPAC Name3-[(sulfinatoamino)methyl]quinoline
SMILESO=S([O-])NCc1cnc2ccccc2c1
InChIInChI=1S/C10H10N2O2S/c13-15(14)12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2,(H,13,14)/p-1
InChIKeyYQXCMPLLXJNFDQ-UHFFFAOYSA-M
XLogP1.12
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
N-(quinolin-3-ylmethyl)aniline
CID 12573835
1-(quinolin-3-ylmethylamino)ethanol
CID 143559456
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747
2-methyl-N-(quinolin-3-ylmethyl)butan-2-amine
CID 113231254
cis-(1R,3S)-5-(quinolin-3-ylmethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 167873858
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
1-(quinolin-3-ylmethylamino)cyclopropane-1-carboxylic acid
CID 114203535
2-quinolin-3-ylethanol
CID 53403774
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484
2-(2-fluorophenyl)-N-(quinolin-3-ylmethyl)acetamide
CID 110733805
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397

Frequently Asked Questions

What is the IUPAC name of 3-[(sulfinatoamino)methyl]quinoline?
The IUPAC name of 3-[(sulfinatoamino)methyl]quinoline (CID 67383747) is 3-[(sulfinatoamino)methyl]quinoline.
What is the SMILES notation for 3-[(sulfinatoamino)methyl]quinoline?
The canonical SMILES for 3-[(sulfinatoamino)methyl]quinoline is O=S([O-])NCc1cnc2ccccc2c1.
What is the InChIKey of 3-[(sulfinatoamino)methyl]quinoline?
The InChIKey is YQXCMPLLXJNFDQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O2S/c13-15(14)12-7-8-5-9-3-1-2-4-10(9)11-6-8/h1-6,12H,7H2,(H,13,14)/p-1.
What are the key properties of 3-[(sulfinatoamino)methyl]quinoline?
3-[(sulfinatoamino)methyl]quinoline has a molecular weight of 221.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(sulfinatoamino)methyl]quinoline is sourced from PubChem (CID 67383747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).