3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide

C12H18N2O2S — CID 106822477

IUPAC3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
SMILESCCOC1CC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C12H18N2O2S/c1-2-16-9-6-12(7-9,11(13)15)14-8-10-4-3-5-17-10/h3-5,9,14H,2,6-8H2,1H3,(H2,13,15)
InChIKeyYNIRRCQPVCDBHT-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.26
Rot. Bonds6

About 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide

3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide (PubChem CID 106822477) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
PubChem CID106822477
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
SMILESCCOC1CC(NCc2cccs2)(C(N)=O)C1
InChIInChI=1S/C12H18N2O2S/c1-2-16-9-6-12(7-9,11(13)15)14-8-10-4-3-5-17-10/h3-5,9,14H,2,6-8H2,1H3,(H2,13,15)
InChIKeyYNIRRCQPVCDBHT-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide
CID 103563331
4-methyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891183
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 54891229
3,3,5-trimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891663
3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxamide
CID 80705800
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxamide
CID 65085259
1,1-dioxo-3-(thiophen-2-ylmethylamino)thiolane-3-carboxamide
CID 63166290
ethyl 3,3-dimethyl-1-(thiophen-2-ylmethylamino)cyclopentane-1-carboxylate
CID 80698525
3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
2,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 64755354
methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 61001704

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
The IUPAC name of 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide (CID 106822477) is 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
The canonical SMILES for 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide is CCOC1CC(NCc2cccs2)(C(N)=O)C1.
What is the InChIKey of 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
The InChIKey is YNIRRCQPVCDBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-16-9-6-12(7-9,11(13)15)14-8-10-4-3-5-17-10/h3-5,9,14H,2,6-8H2,1H3,(H2,13,15).
What are the key properties of 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide?
3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(thiophen-2-ylmethylamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 106822477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).