N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide

C11H17N3O2S — CID 83026660

IUPACN',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C11H17N3O2S/c1-14(2)13-17(15,16)10-5-6-11-9(8-10)4-3-7-12-11/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyYOODJEJNSINMPW-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.80
Rot. Bonds3

About N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide

N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide (PubChem CID 83026660) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
PubChem CID83026660
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C11H17N3O2S/c1-14(2)13-17(15,16)10-5-6-11-9(8-10)4-3-7-12-11/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyYOODJEJNSINMPW-UHFFFAOYSA-N
XLogP0.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 22692420
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 54884366
N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62056573
N-(cyclobutylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62856404
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 64518866
N-(2-pyrazol-1-ylethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61461227
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 61452430

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide?
The IUPAC name of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide (CID 83026660) is N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide.
What is the SMILES notation for N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide?
The canonical SMILES for N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide is CN(C)NS(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide?
The InChIKey is YOODJEJNSINMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-14(2)13-17(15,16)10-5-6-11-9(8-10)4-3-7-12-11/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide?
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide has a molecular weight of 255.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide is sourced from PubChem (CID 83026660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).