N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide

C14H23N3OS — CID 84596146

IUPACN-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)c2sccc2C)C1
InChIInChI=1S/C14H23N3OS/c1-4-15-14(18)17-7-5-12(9-17)16-11(3)13-10(2)6-8-19-13/h6,8,11-12,16H,4-5,7,9H2,1-3H3,(H,15,18)
InChIKeyHUUZELUZOSVQSX-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.51
Rot. Bonds4

About N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide

N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide (PubChem CID 84596146) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide
PubChem CID84596146
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)c2sccc2C)C1
InChIInChI=1S/C14H23N3OS/c1-4-15-14(18)17-7-5-12(9-17)16-11(3)13-10(2)6-8-19-13/h6,8,11-12,16H,4-5,7,9H2,1-3H3,(H,15,18)
InChIKeyHUUZELUZOSVQSX-UHFFFAOYSA-N
XLogP2.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide?
The IUPAC name of N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide (CID 84596146) is N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide?
The canonical SMILES for N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(C)c2sccc2C)C1.
What is the InChIKey of N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide?
The InChIKey is HUUZELUZOSVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-15-14(18)17-7-5-12(9-17)16-11(3)13-10(2)6-8-19-13/h6,8,11-12,16H,4-5,7,9H2,1-3H3,(H,15,18).
What are the key properties of N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide?
N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 84596146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).