(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone

C15H22N2O3S2 — CID 138024622

IUPAC(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H22N2O3S2/c18-15(13-6-11-21-12-13)16-9-4-14(5-10-16)22(19,20)17-7-2-1-3-8-17/h6,11-12,14H,1-5,7-10H2
InChIKeyQWBWUZJBDKOYAS-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.17
Rot. Bonds3

About (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone

(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 138024622) has the molecular formula C15H22N2O3S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
PubChem CID138024622
Molecular FormulaC15H22N2O3S2
Molecular Weight342.49 g/mol
Exact Mass342.11
IUPAC Name(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H22N2O3S2/c18-15(13-6-11-21-12-13)16-9-4-14(5-10-16)22(19,20)17-7-2-1-3-8-17/h6,11-12,14H,1-5,7-10H2
InChIKeyQWBWUZJBDKOYAS-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclohexylsulfonylazetidin-1-yl)-thiophen-3-ylmethanone
CID 71809289
(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
N,N-dimethyl-4-(thiophene-3-carbonyl)piperazine-1-sulfonamide
CID 32503634
thiophen-3-yl-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786843
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 139019899
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 120986770
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024621
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024608
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone (CID 138024622) is (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is QWBWUZJBDKOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S2/c18-15(13-6-11-21-12-13)16-9-4-14(5-10-16)22(19,20)17-7-2-1-3-8-17/h6,11-12,14H,1-5,7-10H2.
What are the key properties of (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone?
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 342.49 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 138024622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).