(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine

C7H13NOS — CID 127001367

IUPAC(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine
SMILESCO/N=C/C1(SC)CCC1
InChIInChI=1S/C7H13NOS/c1-9-8-6-7(10-2)4-3-5-7/h6H,3-5H2,1-2H3/b8-6+
InChIKeySSBKFYISKPJXAO-SOFGYWHQSA-N
MW159.25 g/mol
LogP1.90
Rot. Bonds3

About (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine

(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine (PubChem CID 127001367) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine
PubChem CID127001367
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine
SMILESCO/N=C/C1(SC)CCC1
InChIInChI=1S/C7H13NOS/c1-9-8-6-7(10-2)4-3-5-7/h6H,3-5H2,1-2H3/b8-6+
InChIKeySSBKFYISKPJXAO-SOFGYWHQSA-N
XLogP1.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanylcyclopentane-1-carbaldehyde
CID 115011620
1-(1-azabicyclo[2.2.2]octan-4-yl)-N-methoxymethanimine;hydrochloride
CID 86744770
3-ethenyl-3-methylsulfanylpyrrolidine;methoxymethane
CID 143851763
N-methoxy-2-methylsulfanylethanimine
CID 91242094
(E)-4-(1-methylsulfanylcyclopropyl)but-3-en-2-ol
CID 130506580
ethane;N-[(E)-methoxyiminomethyl]formamide
CID 144535993
N-methoxy-1-(2,6,6-trimethylcyclohexen-1-yl)methanimine
CID 54537345
ethane;N'-methoxy-N-methylidenemethanimidamide
CID 143329369
1-methoxy-2,2,6,6-tetramethylpiperidine
CID 5074768
cyclopentane;1-ethoxy-1-methylsulfanylcyclopentane
CID 67853175
N,N'-dimethoxypropane-1,3-diimine
CID 54222085
ethane;2-methoxy-7-azaspiro[3.5]nonane
CID 170581485

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine?
The IUPAC name of (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine (CID 127001367) is (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine.
What is the SMILES notation for (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine?
The canonical SMILES for (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine is CO/N=C/C1(SC)CCC1.
What is the InChIKey of (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine?
The InChIKey is SSBKFYISKPJXAO-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NOS/c1-9-8-6-7(10-2)4-3-5-7/h6H,3-5H2,1-2H3/b8-6+.
What are the key properties of (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine?
(E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine has a molecular weight of 159.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-(1-methylsulfanylcyclobutyl)methanimine is sourced from PubChem (CID 127001367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).