(3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine

C11H13N3O2S — CID 63233276

IUPAC(3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine
SMILESCc1cc2cc(S(C)(=O)=O)ccc2nc1NN
InChIInChI=1S/C11H13N3O2S/c1-7-5-8-6-9(17(2,15)16)3-4-10(8)13-11(7)14-12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyCFOTYXAACQNUKZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.23
Rot. Bonds2

About (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine

(3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine (PubChem CID 63233276) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine
PubChem CID63233276
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine
SMILESCc1cc2cc(S(C)(=O)=O)ccc2nc1NN
InChIInChI=1S/C11H13N3O2S/c1-7-5-8-6-9(17(2,15)16)3-4-10(8)13-11(7)14-12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyCFOTYXAACQNUKZ-UHFFFAOYSA-N
XLogP1.23
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(6-ethyl-3-methylquinolin-2-yl)hydrazine;hydrochloride
CID 43866087
2-chloro-6-methylsulfonylquinolin-3-amine
CID 114553273
N-ethyl-6-methylsulfonyl-3-propan-2-ylquinolin-2-amine
CID 63232227
[3,5-dichloro-6-(4-methylsulfonylphenoxy)-2-pyridinyl]hydrazine
CID 102762928
N,3,6-trimethylquinolin-2-amine
CID 63231556
ethane;6-methylsulfonylquinoline
CID 156875641
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
6-methylsulfonylnaphthalen-2-amine
CID 23423665
(2-bromo-4-methylsulfonylphenyl)hydrazine
CID 2761068
6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
1-methyl-6-methylsulfonylisoquinoline
CID 125457788
ethane;6-methylsulfonylquinoxaline
CID 156875754

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine?
The IUPAC name of (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine (CID 63233276) is (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine.
What is the SMILES notation for (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine?
The canonical SMILES for (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine is Cc1cc2cc(S(C)(=O)=O)ccc2nc1NN.
What is the InChIKey of (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine?
The InChIKey is CFOTYXAACQNUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-5-8-6-9(17(2,15)16)3-4-10(8)13-11(7)14-12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine?
(3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine has a molecular weight of 251.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-methylsulfonylquinolin-2-yl)hydrazine is sourced from PubChem (CID 63233276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).