[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane

C9H15ClN2OSSi — CID 170607335

IUPAC[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
SMILESC[Si](C)(C)N=S(C)(=O)c1ncccc1Cl
InChIInChI=1S/C9H15ClN2OSSi/c1-14(13,12-15(2,3)4)9-8(10)6-5-7-11-9/h5-7H,1-4H3
InChIKeyQJLLNSKGDIZWFT-UHFFFAOYSA-N
MW262.84 g/mol
LogP3.03
Rot. Bonds2

About [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane

[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane (PubChem CID 170607335) has the molecular formula C9H15ClN2OSSi and a molecular weight of 262.84 g/mol. Its IUPAC name is [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane.

Molecular Properties

Compound Name[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
PubChem CID170607335
Molecular FormulaC9H15ClN2OSSi
Molecular Weight262.84 g/mol
Exact Mass262.04
IUPAC Name[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane
SMILESC[Si](C)(C)N=S(C)(=O)c1ncccc1Cl
InChIInChI=1S/C9H15ClN2OSSi/c1-14(13,12-15(2,3)4)9-8(10)6-5-7-11-9/h5-7H,1-4H3
InChIKeyQJLLNSKGDIZWFT-UHFFFAOYSA-N
XLogP3.03
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.84
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 71646489
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CID 175449044
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CID 134114181
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307
3-chloro-2-(2-phenylethylsulfonyl)pyridine
CID 166181690
(2S)-1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 97163398
1-[(3-chloro-2-pyridinyl)sulfonyl]-2-methylpiperazine;hydrochloride
CID 71639579
3-chloro-2-methylpyridine;dichloromethane
CID 174920232
3-methylpyridine-2-sulfonic acid
CID 2762782
3-iodopyridine-2-sulfonyl chloride
CID 175963839
3-chloro-N-piperidin-3-ylpyridine-2-sulfonamide
CID 71639797
3-methylsulfanyl-2-methylsulfonylpyridine
CID 23436875

Frequently Asked Questions

What is the IUPAC name of [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The IUPAC name of [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane (CID 170607335) is [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane.
What is the SMILES notation for [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The canonical SMILES for [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane is C[Si](C)(C)N=S(C)(=O)c1ncccc1Cl.
What is the InChIKey of [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
The InChIKey is QJLLNSKGDIZWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OSSi/c1-14(13,12-15(2,3)4)9-8(10)6-5-7-11-9/h5-7H,1-4H3.
What are the key properties of [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane?
[[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane has a molecular weight of 262.84 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3-chloro-2-pyridinyl)-methyl-oxo-λ6-sulfanylidene]amino]-trimethylsilane is sourced from PubChem (CID 170607335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).