3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium

C7H11N2O2S+ — CID 40531430

IUPAC3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium
SMILESCO[S@](=O)Nc1ccc[n+](C)c1
InChIInChI=1S/C7H11N2O2S/c1-9-5-3-4-7(6-9)8-12(10)11-2/h3-6,8H,1-2H3/q+1/t12-/m0/s1
InChIKeyVSRRKAOEDFDBKD-LBPRGKRZSA-N
MW187.24 g/mol
LogP0.15
Rot. Bonds3

About 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium

3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium (PubChem CID 40531430) has the molecular formula C7H11N2O2S+ and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium
PubChem CID40531430
Molecular FormulaC7H11N2O2S+
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Name3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium
SMILESCO[S@](=O)Nc1ccc[n+](C)c1
InChIInChI=1S/C7H11N2O2S/c1-9-5-3-4-7(6-9)8-12(10)11-2/h3-6,8H,1-2H3/q+1/t12-/m0/s1
InChIKeyVSRRKAOEDFDBKD-LBPRGKRZSA-N
XLogP0.15
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(R)-methoxysulfinyl]amino]-1-methylpyridin-1-ium
CID 40531431
N,1-dimethylpyridin-1-ium-3-amine iodide
CID 44887181
N-(1-methylpyridin-1-ium-3-yl)formamide iodide
CID 87858375
methyl 1-methylpyridin-1-ium-3-carboxylate chloride
CID 3084022
methyl 1-methylpyridin-1-ium-3-carboxylate bromide
CID 117061302
N-(1-methylpyridin-1-ium-3-yl)benzenecarbothioamide
CID 3700121
1-(hydroperoxymethyl)-4-(methoxysulfinylamino)benzene
CID 54476366
phenylsulfinamoyl acetate
CID 70492753
1-(1-methylpyridin-1-ium-3-yl)-3-pyridin-4-ylurea iodide
CID 71396557
acetonitrile;3,4,5-trimethoxy-N-(1-methylpyridin-1-ium-3-yl)benzamide;iodide
CID 139171955
1,4-dihydroxy-6-[3-(methoxysulfinylamino)phenyl]-2-oxo-1,8-naphthyridine
CID 54735028
methyl 1-(trideuteriomethyl)pyridin-1-ium-3-carboxylate
CID 14653361

Frequently Asked Questions

What is the IUPAC name of 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium?
The IUPAC name of 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium (CID 40531430) is 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium.
What is the SMILES notation for 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium?
The canonical SMILES for 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium is CO[S@](=O)Nc1ccc[n+](C)c1.
What is the InChIKey of 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium?
The InChIKey is VSRRKAOEDFDBKD-LBPRGKRZSA-N. The full InChI is InChI=1S/C7H11N2O2S/c1-9-5-3-4-7(6-9)8-12(10)11-2/h3-6,8H,1-2H3/q+1/t12-/m0/s1.
What are the key properties of 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium?
3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium has a molecular weight of 187.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(S)-methoxysulfinyl]amino]-1-methylpyridin-1-ium is sourced from PubChem (CID 40531430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).