1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine

C16H18N2S2 — CID 58843835

IUPAC1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/[C@H]1CCCC[C@@H]1/N=C/c1cccs1)\c1cccs1
InChIInChI=1S/C16H18N2S2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h3-6,9-12,15-16H,1-2,7-8H2/b17-11+,18-12+/t15-,16-/m0/s1
InChIKeyGBNGDXILKRYSKW-BGHCIBGPSA-N
MW302.47 g/mol
LogP4.66
Rot. Bonds4

About 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine

1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine (PubChem CID 58843835) has the molecular formula C16H18N2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine
PubChem CID58843835
Molecular FormulaC16H18N2S2
Molecular Weight302.47 g/mol
Exact Mass302.09
IUPAC Name1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine
SMILESC(=N/[C@H]1CCCC[C@@H]1/N=C/c1cccs1)\c1cccs1
InChIInChI=1S/C16H18N2S2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h3-6,9-12,15-16H,1-2,7-8H2/b17-11+,18-12+/t15-,16-/m0/s1
InChIKeyGBNGDXILKRYSKW-BGHCIBGPSA-N
XLogP4.66
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine?
The IUPAC name of 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine (CID 58843835) is 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine.
What is the SMILES notation for 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine?
The canonical SMILES for 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine is C(=N/[C@H]1CCCC[C@@H]1/N=C/c1cccs1)\c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine?
The InChIKey is GBNGDXILKRYSKW-BGHCIBGPSA-N. The full InChI is InChI=1S/C16H18N2S2/c1-2-8-16(18-12-14-6-4-10-20-14)15(7-1)17-11-13-5-3-9-19-13/h3-6,9-12,15-16H,1-2,7-8H2/b17-11+,18-12+/t15-,16-/m0/s1.
What are the key properties of 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine?
1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine has a molecular weight of 302.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[(1S,2S)-2-(thiophen-2-ylmethylideneamino)cyclohexyl]methanimine is sourced from PubChem (CID 58843835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).