methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate

C16H17NO2S — CID 61001704

IUPACmethyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NCc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c1-19-15(18)16(17-11-14-7-4-8-20-14)9-12-5-2-3-6-13(12)10-16/h2-8,17H,9-11H2,1H3
InChIKeyCVVXBLMCPOAPHD-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.55
Rot. Bonds4

About methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate

methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate (PubChem CID 61001704) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
PubChem CID61001704
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Namemethyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(NCc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C16H17NO2S/c1-19-15(18)16(17-11-14-7-4-8-20-14)9-12-5-2-3-6-13(12)10-16/h2-8,17H,9-11H2,1H3
InChIKeyCVVXBLMCPOAPHD-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
CID 60992152
methyl 3-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54894920
methyl 2,2-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 79857054
1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 61002074
3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
4-(thiophen-2-ylmethylamino)thiane-4-carboxylic acid
CID 61319221
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 106822477
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate (CID 61001704) is methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate is COC(=O)C1(NCc2cccs2)Cc2ccccc2C1.
What is the InChIKey of methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
The InChIKey is CVVXBLMCPOAPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-19-15(18)16(17-11-14-7-4-8-20-14)9-12-5-2-3-6-13(12)10-16/h2-8,17H,9-11H2,1H3.
What are the key properties of methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate?
methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate has a molecular weight of 287.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 61001704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).