N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide

C13H20N2OS — CID 54962408

IUPACN-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1CCCN1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-2-5-10(12-7-4-9-17-12)15-13(16)11-6-3-8-14-11/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyOQPVSTKYEDQLFP-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.46
Rot. Bonds5

About N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide

N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide (PubChem CID 54962408) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
PubChem CID54962408
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1CCCN1)c1cccs1
InChIInChI=1S/C13H20N2OS/c1-2-5-10(12-7-4-9-17-12)15-13(16)11-6-3-8-14-11/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,15,16)
InChIKeyOQPVSTKYEDQLFP-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylpropyl)piperidine-2-carboxamide
CID 54964031
(2R)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913042
(2S)-N-(1-phenylbutyl)piperidine-2-carboxamide
CID 104913043
N-(1-thiophen-2-ylethyl)azepane-2-carboxamide
CID 64563977
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide
CID 63716522
N-(1-thiophen-2-ylbutyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 79352576
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
N-thiophen-2-ylpyrrolidine-2-carboxamide
CID 115159164

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide (CID 54962408) is N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide is CCCC(NC(=O)C1CCCN1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide?
The InChIKey is OQPVSTKYEDQLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-5-10(12-7-4-9-17-12)15-13(16)11-6-3-8-14-11/h4,7,9-11,14H,2-3,5-6,8H2,1H3,(H,15,16).
What are the key properties of N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide?
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54962408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).