(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone

C16H24N2O4S — CID 138024621

IUPAC(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H24N2O4S/c1-13-15(7-12-22-13)16(19)17-10-5-14(6-11-17)23(20,21)18-8-3-2-4-9-18/h7,12,14H,2-6,8-11H2,1H3
InChIKeyXIKMYVIPHFVIAF-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.01
Rot. Bonds3

About (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone

(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone (PubChem CID 138024621) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
PubChem CID138024621
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H24N2O4S/c1-13-15(7-12-22-13)16(19)17-10-5-14(6-11-17)23(20,21)18-8-3-2-4-9-18/h7,12,14H,2-6,8-11H2,1H3
InChIKeyXIKMYVIPHFVIAF-UHFFFAOYSA-N
XLogP2.01
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024608
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
CID 119517982
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138021028
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 138024622
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 43421327

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone (CID 138024621) is (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone is Cc1occc1C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The InChIKey is XIKMYVIPHFVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-13-15(7-12-22-13)16(19)17-10-5-14(6-11-17)23(20,21)18-8-3-2-4-9-18/h7,12,14H,2-6,8-11H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone has a molecular weight of 340.45 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 138024621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).