(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone

C13H18N2OS — CID 62947421

IUPAC(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N2OS/c16-13(12-4-3-9-17-12)15-8-5-11(10-15)14-6-1-2-7-14/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKKUUBZXQHRYVNV-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.06
Rot. Bonds2

About (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone

(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 62947421) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
PubChem CID62947421
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N2OS/c16-13(12-4-3-9-17-12)15-8-5-11(10-15)14-6-1-2-7-14/h3-4,9,11H,1-2,5-8,10H2
InChIKeyKKUUBZXQHRYVNV-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(2S,4R)-4-pyrrolidin-1-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 97391111
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-thiophen-2-ylmethanone
CID 78992376
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[(3R)-3-phenylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 740549
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786

Frequently Asked Questions

What is the IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone (CID 62947421) is (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(N2CCCC2)C1.
What is the InChIKey of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is KKUUBZXQHRYVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-13(12-4-3-9-17-12)15-8-5-11(10-15)14-6-1-2-7-14/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone?
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 250.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrolidin-1-ylpyrrolidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 62947421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).