(5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane

C7H9ClN2OS — CID 125424562

IUPAC(5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=[S@](C)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C7H9ClN2OS/c1-9-12(2,11)7-4-3-6(8)5-10-7/h3-5H,1-2H3/t12-/m1/s1
InChIKeyCEWVBDSOUOQYNM-GFCCVEGCSA-N
MW204.68 g/mol
LogP1.82
Rot. Bonds1

About (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane

(5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane (PubChem CID 125424562) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane.

Molecular Properties

Compound Name(5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane
PubChem CID125424562
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name(5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane
SMILESCN=[S@](C)(=O)c1ccc(Cl)cn1
InChIInChI=1S/C7H9ClN2OS/c1-9-12(2,11)7-4-3-6(8)5-10-7/h3-5H,1-2H3/t12-/m1/s1
InChIKeyCEWVBDSOUOQYNM-GFCCVEGCSA-N
XLogP1.82
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloropyridine-2-sulfonyl chloride;hydrochloride
CID 53408129
5-chloropyridine-2-sulfonamide
CID 22244571
methyl-methylimino-(4-methyl-2-pyridinyl)-oxo-λ6-sulfane
CID 178057266
5-chloro-2-[(3,4-dichlorophenyl)methylsulfonyl]pyridine
CID 112816763
methyl 1-[(5-chloro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxylate
CID 168998488
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146
1-(5-chloro-2-pyridinyl)-1-methylsulfonylpiperazin-1-ium
CID 23133556
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
5-chloro-2-(3-methylidenepyrrolidin-1-yl)sulfonylpyridine
CID 156567055
methyl 4-[(5-chloro-2-pyridinyl)sulfonimidoyl]benzoate
CID 168792392
5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)sulfonylpyridine
CID 171984491
N-(5-chloro-2-pyridinyl)ethanesulfonamide
CID 6486787

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane?
The IUPAC name of (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane (CID 125424562) is (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane.
What is the SMILES notation for (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane?
The canonical SMILES for (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane is CN=[S@](C)(=O)c1ccc(Cl)cn1.
What is the InChIKey of (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane?
The InChIKey is CEWVBDSOUOQYNM-GFCCVEGCSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-9-12(2,11)7-4-3-6(8)5-10-7/h3-5H,1-2H3/t12-/m1/s1.
What are the key properties of (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane?
(5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane has a molecular weight of 204.68 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-pyridinyl)-methyl-methylimino-oxo-λ6-sulfane is sourced from PubChem (CID 125424562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).