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

C13H20N2OS — CID 115159325

IUPACN-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccsc1CCN(C)C(=O)C1CCCN1
InChIInChI=1S/C13H20N2OS/c1-10-6-9-17-12(10)5-8-15(2)13(16)11-4-3-7-14-11/h6,9,11,14H,3-5,7-8H2,1-2H3
InChIKeyAUJDKICIDWVPMA-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.81
Rot. Bonds4

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

N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 115159325) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID115159325
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCc1ccsc1CCN(C)C(=O)C1CCCN1
InChIInChI=1S/C13H20N2OS/c1-10-6-9-17-12(10)5-8-15(2)13(16)11-4-3-7-14-11/h6,9,11,14H,3-5,7-8H2,1-2H3
InChIKeyAUJDKICIDWVPMA-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 115159253
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431
(2R)-N-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]pyrrolidine-2-carboxamide
CID 77094777
(2R)-N-methyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 103885144
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
CID 112698005
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 115159325) is N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide is Cc1ccsc1CCN(C)C(=O)C1CCCN1.
What is the InChIKey of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is AUJDKICIDWVPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-10-6-9-17-12(10)5-8-15(2)13(16)11-4-3-7-14-11/h6,9,11,14H,3-5,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide?
N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 115159325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).