1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide

C18H22N2O3S — CID 165037384

IUPAC1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide
SMILESCON=C(c1ccn(-c2ccccc2)c1)C1CCCCC1.O=S=O
InChIInChI=1S/C18H22N2O.O2S/c1-21-19-18(15-8-4-2-5-9-15)16-12-13-20(14-16)17-10-6-3-7-11-17;1-3-2/h3,6-7,10-15H,2,4-5,8-9H2,1H3;
InChIKeyNPACSTWRZQLNAV-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.74
Rot. Bonds4

About 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide

1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide (PubChem CID 165037384) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide.

Molecular Properties

Compound Name1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide
PubChem CID165037384
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide
SMILESCON=C(c1ccn(-c2ccccc2)c1)C1CCCCC1.O=S=O
InChIInChI=1S/C18H22N2O.O2S/c1-21-19-18(15-8-4-2-5-9-15)16-12-13-20(14-16)17-10-6-3-7-11-17;1-3-2/h3,6-7,10-15H,2,4-5,8-9H2,1H3;
InChIKeyNPACSTWRZQLNAV-UHFFFAOYSA-N
XLogP3.74
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-cyclohexyl-N-methoxy-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanimine
CID 165050500
[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide
CID 74219724
methyl (E)-2-cyclohexyl-3-phenylbut-2-enoate
CID 11230667
2-[3-(1-phenylpyrrole-3-carbonyl)pyrrol-1-yl]acetic acid
CID 11055491
(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 134020644
[cyclopropyl(phenyl)methylidene]hydrazine
CID 85247126
(1-phenylpyrrol-3-yl) acetate
CID 174955696
[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate
CID 5021428
N-[[cyclohexyl(phenyl)methylidene]amino]-2-hydroxybenzamide
CID 3970319
1-cyclopropyl-1-(6-cyclopropyl-3-pyridinyl)-N-methoxymethanimine
CID 2768475
ethane;methanol;1-phenylpiperidine
CID 177175072
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide?
The IUPAC name of 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide (CID 165037384) is 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide.
What is the SMILES notation for 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide?
The canonical SMILES for 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide is CON=C(c1ccn(-c2ccccc2)c1)C1CCCCC1.O=S=O.
What is the InChIKey of 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide?
The InChIKey is NPACSTWRZQLNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.O2S/c1-21-19-18(15-8-4-2-5-9-15)16-12-13-20(14-16)17-10-6-3-7-11-17;1-3-2/h3,6-7,10-15H,2,4-5,8-9H2,1H3;.
What are the key properties of 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide?
1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide has a molecular weight of 346.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methoxy-1-(1-phenylpyrrol-3-yl)methanimine;sulfur dioxide is sourced from PubChem (CID 165037384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).