piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C15H22N2O3S2 — CID 4605989

IUPACpiperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1
InChIInChI=1S/C15H22N2O3S2/c18-15(16-8-2-1-3-9-16)13-6-10-17(11-7-13)22(19,20)14-5-4-12-21-14/h4-5,12-13H,1-3,6-11H2
InChIKeyFLHMHYAJIHGING-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.16
Rot. Bonds3

About piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 4605989) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID4605989
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Namepiperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1
InChIInChI=1S/C15H22N2O3S2/c18-15(16-8-2-1-3-9-16)13-6-10-17(11-7-13)22(19,20)14-5-4-12-21-14/h4-5,12-13H,1-3,6-11H2
InChIKeyFLHMHYAJIHGING-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9296568
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9296574
(4-pyridin-4-ylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 46362695
[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 3243073
(4-pyridin-2-ylpiperazin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 9111433
[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 42024911
1-thiophen-2-ylsulfonylpiperidine
CID 765823
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
2-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55455598
oxolan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2970302

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 4605989) is piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is FLHMHYAJIHGING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c18-15(16-8-2-1-3-9-16)13-6-10-17(11-7-13)22(19,20)14-5-4-12-21-14/h4-5,12-13H,1-3,6-11H2.
What are the key properties of piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 342.49 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 4605989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).