[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine

C15H21N3O2S — CID 105327259

IUPAC[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine
SMILESCc1ccc2cc(C(NN)C(C)(C)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C15H21N3O2S/c1-10-5-6-11-9-12(7-8-13(11)17-10)14(18-16)15(2,3)21(4,19)20/h5-9,14,18H,16H2,1-4H3
InChIKeyPXGSOANSJZGKJQ-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.87
Rot. Bonds4

About [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine

[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine (PubChem CID 105327259) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine
PubChem CID105327259
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine
SMILESCc1ccc2cc(C(NN)C(C)(C)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C15H21N3O2S/c1-10-5-6-11-9-12(7-8-13(11)17-10)14(18-16)15(2,3)21(4,19)20/h5-9,14,18H,16H2,1-4H3
InChIKeyPXGSOANSJZGKJQ-UHFFFAOYSA-N
XLogP1.87
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.87
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

N-[4-(6-methyl-4-phenylquinolin-2-yl)phenyl]ethanesulfonamide
CID 2134165
UCSF678 dihydrochloride
CID 139007318
3-[(2Z)-2-[(1-ethyl-6-methylquinolinium-2-yl)methylene]quinolin-1(2H)-yl]propane-1-sulfonate
CID 5767612
N-[3-(quinolin-8-ylmethylsulfanyl)propyl]methanesulfonamide
CID 75422048
2-((Methylsulfonyl)methyl)quinoline
CID 14901365
3-[2-[(1-Ethyl-6-methylquinolin-2-ylidene)methyl]quinolin-1-ium-1-yl]propane-1-sulfonate
CID 3146427
1-[6-Fluoro-4-(methylsulfonylmethyl)-3-phenylquinolin-2-yl]ethanamine
CID 59634695
2-(Ethylsulfonylmethyl)-6-(trifluoromethyl)quinoline
CID 91191959
1-(3-Cyclohexa-1,5-dien-1-yl-6-fluoro-4-methylsulfonylquinolin-2-yl)ethanamine
CID 91220601
N-[(1R)-1-(5-amino-2-fluoro-3-methylphenyl)ethyl]-6-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-methylquinolin-4-amine
CID 170555808
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-methylquinolin-4-amine
CID 170555824
N-[1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-methylquinolin-4-amine
CID 175500276

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine?
The IUPAC name of [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine (CID 105327259) is [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine is Cc1ccc2cc(C(NN)C(C)(C)S(C)(=O)=O)ccc2n1.
What is the InChIKey of [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine?
The InChIKey is PXGSOANSJZGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-5-6-11-9-12(7-8-13(11)17-10)14(18-16)15(2,3)21(4,19)20/h5-9,14,18H,16H2,1-4H3.
What are the key properties of [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine?
[2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine has a molecular weight of 307.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(2-methylquinolin-6-yl)-2-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 105327259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).