N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide

C12H18N2OS — CID 61242837

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2cccs2)C1
InChIInChI=1S/C12H18N2OS/c1-2-14-6-5-10(9-14)8-13-12(15)11-4-3-7-16-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,13,15)
InChIKeyICPCMTNGOUFLON-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.82
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide

N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 61242837) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID61242837
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCC(CNC(=O)c2cccs2)C1
InChIInChI=1S/C12H18N2OS/c1-2-14-6-5-10(9-14)8-13-12(15)11-4-3-7-16-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,13,15)
InChIKeyICPCMTNGOUFLON-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61077226
N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51092774
N-[[1-(3-methoxypropanoyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131947637
tert-butyl 4-[(thiophene-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 2810469
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
N-[[1-[(3-acetylphenyl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 45228883
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71462066
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 131893384
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111258407
tert-butyl N-[[1-(2-oxo-2-thiophen-2-ylethyl)pyrrolidin-3-yl]methyl]carbamate
CID 71632467

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide (CID 61242837) is N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide is CCN1CCC(CNC(=O)c2cccs2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ICPCMTNGOUFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-2-14-6-5-10(9-14)8-13-12(15)11-4-3-7-16-11/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,13,15).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 238.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 61242837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).