N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine

C14H13NOS — CID 21082383

IUPACN-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine
SMILESc1csc(CON=C2Cc3ccccc3C2)c1
InChIInChI=1S/C14H13NOS/c1-2-5-12-9-13(8-11(12)4-1)15-16-10-14-6-3-7-17-14/h1-7H,8-10H2
InChIKeyLFVCPTVEPSPIMG-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.42
Rot. Bonds3

About N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine

N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine (PubChem CID 21082383) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine
PubChem CID21082383
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC NameN-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine
SMILESc1csc(CON=C2Cc3ccccc3C2)c1
InChIInChI=1S/C14H13NOS/c1-2-5-12-9-13(8-11(12)4-1)15-16-10-14-6-3-7-17-14/h1-7H,8-10H2
InChIKeyLFVCPTVEPSPIMG-UHFFFAOYSA-N
XLogP3.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.42
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

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CID 142060545
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CID 9410892
(2E)-2-(thiophen-2-ylmethoxyimino)propan-1-amine
CID 58684477
2-(ethoxymethyl)thiophene
CID 12699283
trimethyl-[2-(thiophen-2-ylmethoxy)ethyl]silane
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(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
CID 7127504
2-[(2-methoxyphenoxy)methyl]thiophene
CID 174917989
1-phenyl-1-pyridin-2-yl-N-(thiophen-2-ylmethoxy)methanimine
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O-(thiophen-2-ylmethyl) 4-hydroxybenzenecarbothioate
CID 173450161
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CID 66350899

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine?
The IUPAC name of N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine (CID 21082383) is N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine.
What is the SMILES notation for N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine?
The canonical SMILES for N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine is c1csc(CON=C2Cc3ccccc3C2)c1.
What is the InChIKey of N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine?
The InChIKey is LFVCPTVEPSPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c1-2-5-12-9-13(8-11(12)4-1)15-16-10-14-6-3-7-17-14/h1-7H,8-10H2.
What are the key properties of N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine?
N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine has a molecular weight of 243.33 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethoxy)-1,3-dihydroinden-2-imine is sourced from PubChem (CID 21082383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).