N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine

C11H18N2S — CID 143797140

IUPACN-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1CSCCN1C
InChIInChI=1S/C11H18N2S/c1-4-5-10(8-12-2)11-9-14-7-6-13(11)3/h4-5,8,11H,2,6-7,9H2,1,3H3/b5-4-,10-8+
InChIKeySMFXBXYHMFFJPJ-BTCMVDHLSA-N
MW210.35 g/mol
LogP2.19
Rot. Bonds3

About N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine (PubChem CID 143797140) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine
PubChem CID143797140
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C/C)C1CSCCN1C
InChIInChI=1S/C11H18N2S/c1-4-5-10(8-12-2)11-9-14-7-6-13(11)3/h4-5,8,11H,2,6-7,9H2,1,3H3/b5-4-,10-8+
InChIKeySMFXBXYHMFFJPJ-BTCMVDHLSA-N
XLogP2.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-methylthiomorpholine-3-carboximidamide
CID 103594659
N-[(1E,3Z)-2-pyrrolidin-3-ylpenta-1,3-dienyl]methanimine
CID 142494932
2-methoxy-1-(4-methylthiomorpholin-3-yl)ethanone
CID 103595353
(3,5-dimethylcyclohexyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595172
1-(4-methylthiomorpholin-3-yl)hex-5-en-1-ol
CID 103595783
1-(4-methylthiomorpholin-3-yl)hex-5-yn-1-one
CID 103595438
(4-methylthiomorpholin-3-yl)-(oxan-4-yl)methanone
CID 103595318
3-ethyl-1-(4-methylthiomorpholin-3-yl)pentan-1-one
CID 103595186
1-(4-methylthiomorpholin-3-yl)pent-3-yn-1-one
CID 103595307
4-pent-4-enylthiomorpholine-3-carboxylic acid
CID 82906566
tert-butyl 3-[(E)-but-2-enoyl]thiomorpholine-4-carboxylate
CID 165466643
(4-methylthiomorpholin-3-yl)-morpholin-4-ylmethanimine
CID 106446019

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine (CID 143797140) is N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine is C=N/C=C(\C=C/C)C1CSCCN1C.
What is the InChIKey of N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine?
The InChIKey is SMFXBXYHMFFJPJ-BTCMVDHLSA-N. The full InChI is InChI=1S/C11H18N2S/c1-4-5-10(8-12-2)11-9-14-7-6-13(11)3/h4-5,8,11H,2,6-7,9H2,1,3H3/b5-4-,10-8+.
What are the key properties of N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine has a molecular weight of 210.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-2-(4-methylthiomorpholin-3-yl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 143797140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).