ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone

C13H21NOS — CID 142506623

IUPACethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCC.CC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H15NOS.C2H6/c1-9-4-6-12(7-5-9)11(13)10-3-2-8-14-10;1-2/h2-3,8-9H,4-7H2,1H3;1-2H3
InChIKeyDCVLLENUWBHOQV-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.65
Rot. Bonds1

About ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone

ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone (PubChem CID 142506623) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Nameethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
PubChem CID142506623
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Nameethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
SMILESCC.CC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C11H15NOS.C2H6/c1-9-4-6-12(7-5-9)11(13)10-3-2-8-14-10;1-2/h2-3,8-9H,4-7H2,1H3;1-2H3
InChIKeyDCVLLENUWBHOQV-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78795769
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
(2R)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208441
(2S)-2-cyclopentyl-1-(4-methylpiperidin-1-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 93208442
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone (CID 142506623) is ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone is CC.CC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
The InChIKey is DCVLLENUWBHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS.C2H6/c1-9-4-6-12(7-5-9)11(13)10-3-2-8-14-10;1-2/h2-3,8-9H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone?
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone has a molecular weight of 239.38 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 142506623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).