N-methyl-1-thiophen-2-ylmethanimine oxide

C6H7NOS — CID 820835

IUPACN-methyl-1-thiophen-2-ylmethanimine oxide
SMILESC/[N+]([O-])=C/c1cccs1
InChIInChI=1S/C6H7NOS/c1-7(8)5-6-3-2-4-9-6/h2-5H,1H3/b7-5-
InChIKeyMMSMKZBPIYNXKA-ALCCZGGFSA-N
MW141.19 g/mol
LogP1.31
Rot. Bonds1

About N-methyl-1-thiophen-2-ylmethanimine oxide

N-methyl-1-thiophen-2-ylmethanimine oxide (PubChem CID 820835) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-ylmethanimine oxide.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-ylmethanimine oxide
PubChem CID820835
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC NameN-methyl-1-thiophen-2-ylmethanimine oxide
SMILESC/[N+]([O-])=C/c1cccs1
InChIInChI=1S/C6H7NOS/c1-7(8)5-6-3-2-4-9-6/h2-5H,1H3/b7-5-
InChIKeyMMSMKZBPIYNXKA-ALCCZGGFSA-N
XLogP1.31
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Thiophene-2-aldoxime
CID 6876527
1-(2-Thienyl)ethanone oxime
CID 5324550
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
ethanone, 1-(2-thienyl)-, oxime, (1Z)-
CID 16061
1-Thiophen-2-yl-ethanone oxime
CID 5324551
2-Thiophenecarbaldehyde oxime
CID 97275
N-Thenylidene-2-aminoethanol
CID 52733
1-hydroxy-3-[(E)-2-thienylmethyleneamino]guanidine
CID 9570003
N-methylthiophene-2-carboximidoyl chloride
CID 7130958
(1E)-2-(2-thienyl)acetaldehyde oxime
CID 10920611
(R)-2-methyl-N-(thiophen-2-ylmethylene)propane-2-sulfinamide
CID 62705616
2-Thiophenecarboxaldehyde, hydrazone
CID 4050027

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-ylmethanimine oxide?
The IUPAC name of N-methyl-1-thiophen-2-ylmethanimine oxide (CID 820835) is N-methyl-1-thiophen-2-ylmethanimine oxide.
What is the SMILES notation for N-methyl-1-thiophen-2-ylmethanimine oxide?
The canonical SMILES for N-methyl-1-thiophen-2-ylmethanimine oxide is C/[N+]([O-])=C/c1cccs1.
What is the InChIKey of N-methyl-1-thiophen-2-ylmethanimine oxide?
The InChIKey is MMSMKZBPIYNXKA-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H7NOS/c1-7(8)5-6-3-2-4-9-6/h2-5H,1H3/b7-5-.
What are the key properties of N-methyl-1-thiophen-2-ylmethanimine oxide?
N-methyl-1-thiophen-2-ylmethanimine oxide has a molecular weight of 141.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-ylmethanimine oxide is sourced from PubChem (CID 820835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).