N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine

C8H12ClN3OS — CID 118863922

IUPACN-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine
SMILESCN(C)S(C)(=O)=Nc1ccc(Cl)nc1
InChIInChI=1S/C8H12ClN3OS/c1-12(2)14(3,13)11-7-4-5-8(9)10-6-7/h4-6H,1-3H3
InChIKeyGXLMXLHOCWRQPL-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.94
Rot. Bonds2

About N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine

N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine (PubChem CID 118863922) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine
PubChem CID118863922
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC NameN-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine
SMILESCN(C)S(C)(=O)=Nc1ccc(Cl)nc1
InChIInChI=1S/C8H12ClN3OS/c1-12(2)14(3,13)11-7-4-5-8(9)10-6-7/h4-6H,1-3H3
InChIKeyGXLMXLHOCWRQPL-UHFFFAOYSA-N
XLogP1.94
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-3-pyridinyl)-N-(4-methylsulfonylphenyl)methanimine
CID 10979321
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980
6-chloro-N,N-dimethylpyridin-3-amine
CID 14116703
1-(6-chloro-3-pyridinyl)ethylidene-dimethyl-oxo-λ6-sulfane
CID 91565887
2-(6-chloro-3-pyridinyl)guanidine;hydroiodide
CID 130650578
6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 43429215
6-chloropyridine-3-sulfonic acid
CID 2762861
6-chloropyridine-3-sulfonyl fluoride
CID 105449565
(6-chloro-3-pyridinyl)methyl-isocyanoimino-methyl-oxo-λ6-sulfane
CID 59721585
6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 47310666
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120
N-[[1-(6-chloro-3-pyridinyl)ethylamino]-methyl-oxo-λ6-sulfanylidene]nitramide
CID 44555950

Frequently Asked Questions

What is the IUPAC name of N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine?
The IUPAC name of N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine (CID 118863922) is N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine.
What is the SMILES notation for N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine?
The canonical SMILES for N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine is CN(C)S(C)(=O)=Nc1ccc(Cl)nc1.
What is the InChIKey of N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine?
The InChIKey is GXLMXLHOCWRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-12(2)14(3,13)11-7-4-5-8(9)10-6-7/h4-6H,1-3H3.
What are the key properties of N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine?
N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine has a molecular weight of 233.72 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-(6-chloro-3-pyridinyl)-S-methylsulfonimidoyl]-N-methylmethanamine is sourced from PubChem (CID 118863922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).