3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

C14H22N2O2S — CID 75379878

IUPAC3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)NCc2ccsc2)C1
InChIInChI=1S/C14H22N2O2S/c1-11(2)9-18-13-3-5-16(8-13)14(17)15-7-12-4-6-19-10-12/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,15,17)
InChIKeyMAHJNYCOQBHBOZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.70
Rot. Bonds5

About 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide

3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 75379878) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID75379878
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)COC1CCN(C(=O)NCc2ccsc2)C1
InChIInChI=1S/C14H22N2O2S/c1-11(2)9-18-13-3-5-16(8-13)14(17)15-7-12-4-6-19-10-12/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,15,17)
InChIKeyMAHJNYCOQBHBOZ-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide (CID 75379878) is 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is CC(C)COC1CCN(C(=O)NCc2ccsc2)C1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is MAHJNYCOQBHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)9-18-13-3-5-16(8-13)14(17)15-7-12-4-6-19-10-12/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide?
3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(thiophen-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75379878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).