N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

C11H16N2OS — CID 63006092

IUPACN-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-8(10-3-2-6-15-10)13-11(14)9-4-5-12-7-9/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyIIIDQJRRLDCYLA-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.53
Rot. Bonds3

About N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide

N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 63006092) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID63006092
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-8(10-3-2-6-15-10)13-11(14)9-4-5-12-7-9/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,13,14)
InChIKeyIIIDQJRRLDCYLA-UHFFFAOYSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
N-[(1R)-1-thiophen-2-ylethyl]morpholine-2-carboxamide
CID 81408817
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 119794217
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide (CID 63006092) is N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is IIIDQJRRLDCYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(10-3-2-6-15-10)13-11(14)9-4-5-12-7-9/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,13,14).
What are the key properties of N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide?
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).