1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide

C9H12N2OS — CID 163968178

IUPAC1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide
SMILES[H]N=S1(=O)CCCc2cc(C)ncc21
InChIInChI=1S/C9H12N2OS/c1-7-5-8-3-2-4-13(10,12)9(8)6-11-7/h5-6,10H,2-4H2,1H3
InChIKeySNRBBPHZDWZWHI-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.74
Rot. Bonds

About 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide

1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide (PubChem CID 163968178) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide.

Molecular Properties

Compound Name1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide
PubChem CID163968178
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide
SMILES[H]N=S1(=O)CCCc2cc(C)ncc21
InChIInChI=1S/C9H12N2OS/c1-7-5-8-3-2-4-13(10,12)9(8)6-11-7/h5-6,10H,2-4H2,1H3
InChIKeySNRBBPHZDWZWHI-UHFFFAOYSA-N
XLogP1.74
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sulfoxaflor
CID 16723172
Pyridine, 4-[2-[(4-methylphenyl)sulfonyl]ethyl]-
CID 571666
2-(4-(Methylsulfonyl)phenyl)pyridine
CID 46937403
4-Benzylsulfanylpyridine-3-sulfonamide
CID 901953
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
4-(2-Benzylsulfinylethyl)pyridine
CID 660677
4-[(4-Methylphenyl)sulfanyl]-3-pyridinesulfonamide
CID 5240104
Dimethyl-[2-(2-phenyl-pyridin-4-ylsulfanyl)-ethyl]-amine
CID 44374234
[Ethyl-oxo-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-yl]-lambda6-sulfanylidene]cyanamide
CID 76334702
2-{2-[(4-Methylphenyl)sulfonyl]ethyl}pyridine
CID 977774
6-(Benzylsulfanyl)-3-pyridinesulfonamide
CID 901954
[methyl-oxo-[(1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-lambda6-sulfanylidene]cyanamide
CID 89261003

Frequently Asked Questions

What is the IUPAC name of 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide?
The IUPAC name of 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide (CID 163968178) is 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide.
What is the SMILES notation for 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide?
The canonical SMILES for 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide is [H]N=S1(=O)CCCc2cc(C)ncc21.
What is the InChIKey of 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide?
The InChIKey is SNRBBPHZDWZWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7-5-8-3-2-4-13(10,12)9(8)6-11-7/h5-6,10H,2-4H2,1H3.
What are the key properties of 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide?
1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide has a molecular weight of 196.28 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imino-6-methyl-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine 1-oxide is sourced from PubChem (CID 163968178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).