methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate

C12H15NO3S — CID 90854572

IUPACmethyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccs2)C1
InChIInChI=1S/C12H15NO3S/c1-16-12(15)8-4-5-9(7-8)13-11(14)10-3-2-6-17-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,14)
InChIKeyBWRGQJUDPTZVNS-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.82
Rot. Bonds3

About methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate

methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate (PubChem CID 90854572) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate
PubChem CID90854572
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Namemethyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)c2cccs2)C1
InChIInChI=1S/C12H15NO3S/c1-16-12(15)8-4-5-9(7-8)13-11(14)10-3-2-6-17-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,14)
InChIKeyBWRGQJUDPTZVNS-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate (CID 90854572) is methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate is COC(=O)C1CCC(NC(=O)c2cccs2)C1.
What is the InChIKey of methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate?
The InChIKey is BWRGQJUDPTZVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-16-12(15)8-4-5-9(7-8)13-11(14)10-3-2-6-17-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,14).
What are the key properties of methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate?
methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(thiophene-2-carbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 90854572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).