(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C14H20N2OS — CID 79388678

IUPAC(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCC1NCCC1C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C14H20N2OS/c1-10-11(6-7-15-10)14(17)16-8-2-4-12(16)13-5-3-9-18-13/h3,5,9-12,15H,2,4,6-8H2,1H3
InChIKeyYNHNPKKOEFEQQD-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.41
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 79388678) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID79388678
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCC1NCCC1C(=O)N1CCCC1c1cccs1
InChIInChI=1S/C14H20N2OS/c1-10-11(6-7-15-10)14(17)16-8-2-4-12(16)13-5-3-9-18-13/h3,5,9-12,15H,2,4,6-8H2,1H3
InChIKeyYNHNPKKOEFEQQD-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpyrrolidin-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 79388531
2-[(3R)-3-methylpiperazin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 104975229
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(4-hydroxypyrrolidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 54869522
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 94215126
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
(3-methylpiperidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 63131223
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 51081806
(2-methylpiperidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 104596359
3-chloro-2,2-dimethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
CID 63679619

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 79388678) is (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is CC1NCCC1C(=O)N1CCCC1c1cccs1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is YNHNPKKOEFEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-11(6-7-15-10)14(17)16-8-2-4-12(16)13-5-3-9-18-13/h3,5,9-12,15H,2,4,6-8H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 264.39 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79388678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).