N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide

C16H26N2OS — CID 106975525

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCC(C)(C)c2cccs2)CCCN1
InChIInChI=1S/C16H26N2OS/c1-4-8-16(9-6-10-18-16)14(19)17-12-15(2,3)13-7-5-11-20-13/h5,7,11,18H,4,6,8-10,12H2,1-3H3,(H,17,19)
InChIKeyDXFPQPJTNCAEOI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.06
Rot. Bonds6

About N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide

N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975525) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106975525
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCC(C)(C)c2cccs2)CCCN1
InChIInChI=1S/C16H26N2OS/c1-4-8-16(9-6-10-18-16)14(19)17-12-15(2,3)13-7-5-11-20-13/h5,7,11,18H,4,6,8-10,12H2,1-3H3,(H,17,19)
InChIKeyDXFPQPJTNCAEOI-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945485
1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
CID 80526850
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808
N-(5-hydroxy-2,2-dimethylpentyl)-2-propylpyrrolidine-2-carboxamide
CID 106148123
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
N-(2-hydroxy-2-phenylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974225
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 115627643
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide (CID 106975525) is N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCC(C)(C)c2cccs2)CCCN1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is DXFPQPJTNCAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-8-16(9-6-10-18-16)14(19)17-12-15(2,3)13-7-5-11-20-13/h5,7,11,18H,4,6,8-10,12H2,1-3H3,(H,17,19).
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).