2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide

C14H22N2OS — CID 80527266

IUPAC2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-10-11(6-7-15-10)13(17)16-9-14(2,3)12-5-4-8-18-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyFUKCNYOWRDCGQQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide

2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 80527266) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID80527266
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C14H22N2OS/c1-10-11(6-7-15-10)13(17)16-9-14(2,3)12-5-4-8-18-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyFUKCNYOWRDCGQQ-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 124571467
N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119787636
N-(2-methyl-2-thiophen-2-ylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119787672
3-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexane-1-carboxamide
CID 80527416
N-(2-methyl-2-thiophen-2-ylpropyl)-N'-(2,2,2-trifluoroethyl)propanediamide
CID 75451079
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527342
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-(2-hydroxyphenyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 78963260
(2R)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527715
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide (CID 80527266) is 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide is CC1NCCC1C(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is FUKCNYOWRDCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-11(6-7-15-10)13(17)16-9-14(2,3)12-5-4-8-18-12/h4-5,8,10-11,15H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide?
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 80527266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).