[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

C11H16N2OS — CID 63263775

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCNCC1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2OS/c1-12-7-9-4-5-13(8-9)11(14)10-3-2-6-15-10/h2-3,6,9,12H,4-5,7-8H2,1H3
InChIKeyXCBSHZYGQDVQOP-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.43
Rot. Bonds3

About [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone

[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 63263775) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID63263775
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCNCC1CCN(C(=O)c2cccs2)C1
InChIInChI=1S/C11H16N2OS/c1-12-7-9-4-5-13(8-9)11(14)10-3-2-6-15-10/h2-3,6,9,12H,4-5,7-8H2,1H3
InChIKeyXCBSHZYGQDVQOP-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038
[3-(2-bromoethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801408
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
(3-benzylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 110874320
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119541022
[4-(methylaminomethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119543284
(3-ethylthiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263358
(5-chlorothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542062
(5-ethylthiophen-2-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 95381708
(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
N-[[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide;hydrochloride
CID 119397160

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 63263775) is [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is CNCC1CCN(C(=O)c2cccs2)C1.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is XCBSHZYGQDVQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-12-7-9-4-5-13(8-9)11(14)10-3-2-6-15-10/h2-3,6,9,12H,4-5,7-8H2,1H3.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 224.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 63263775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).