[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone

C14H18N2OS2 — CID 80746000

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCNCC1CCCN(C(=O)c2cc3sccc3s2)C1
InChIInChI=1S/C14H18N2OS2/c1-15-8-10-3-2-5-16(9-10)14(17)13-7-12-11(19-13)4-6-18-12/h4,6-7,10,15H,2-3,5,8-9H2,1H3
InChIKeyXBVIQQJUSKAACO-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.03
Rot. Bonds3

About [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone

[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 80746000) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID80746000
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESCNCC1CCCN(C(=O)c2cc3sccc3s2)C1
InChIInChI=1S/C14H18N2OS2/c1-15-8-10-3-2-5-16(9-10)14(17)13-7-12-11(19-13)4-6-18-12/h4,6-7,10,15H,2-3,5,8-9H2,1H3
InChIKeyXBVIQQJUSKAACO-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone with MolForge

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Related Compounds

(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206369
(3-bromo-4-methylpiperidin-1-yl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 102962098
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
[4-(bromomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80740068
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[2-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-thiophen-2-ylmethanone;hydrochloride
CID 119398089
[3-(difluoromethoxy)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398975
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395679
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone (CID 80746000) is [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone is CNCC1CCCN(C(=O)c2cc3sccc3s2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is XBVIQQJUSKAACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-15-8-10-3-2-5-16(9-10)14(17)13-7-12-11(19-13)4-6-18-12/h4,6-7,10,15H,2-3,5,8-9H2,1H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone?
[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 294.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 80746000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).