4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide

C14H22N2OS — CID 63716522

IUPAC4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide
SMILESCCCC(NC(=O)C1CNCC1C)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-3-5-12(13-6-4-7-18-13)16-14(17)11-9-15-8-10(11)2/h4,6-7,10-12,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyYKPSKBLGYSPPJO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.56
Rot. Bonds5

About 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide

4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide (PubChem CID 63716522) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide
PubChem CID63716522
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide
SMILESCCCC(NC(=O)C1CNCC1C)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-3-5-12(13-6-4-7-18-13)16-14(17)11-9-15-8-10(11)2/h4,6-7,10-12,15H,3,5,8-9H2,1-2H3,(H,16,17)
InChIKeyYKPSKBLGYSPPJO-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-methylpyrrolidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 63714612
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
2-methyl-2-piperazin-1-yl-N-(1-thiophen-2-ylbutyl)propanamide
CID 80547520
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
N-[1-(2-methoxyphenyl)propyl]-4-methylpyrrolidine-3-carboxamide
CID 63715943
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
1-cyano-3-methyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80599692
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
2-(3-methylazetidin-3-yl)oxy-N-(1-thiophen-2-ylbutyl)acetamide
CID 102611497

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide (CID 63716522) is 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide is CCCC(NC(=O)C1CNCC1C)c1cccs1.
What is the InChIKey of 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is YKPSKBLGYSPPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-5-12(13-6-4-7-18-13)16-14(17)11-9-15-8-10(11)2/h4,6-7,10-12,15H,3,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide?
4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63716522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).