furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone

C14H17N3O4S — CID 91625053

IUPACfuran-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H17N3O4S/c1-16-9-6-15-14(16)22(19,20)11-4-7-17(8-5-11)13(18)12-3-2-10-21-12/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyRINCHTOGRLVZHH-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.09
Rot. Bonds3

About furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone

furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone (PubChem CID 91625053) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
PubChem CID91625053
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Namefuran-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H17N3O4S/c1-16-9-6-15-14(16)22(19,20)11-4-7-17(8-5-11)13(18)12-3-2-10-21-12/h2-3,6,9-11H,4-5,7-8H2,1H3
InChIKeyRINCHTOGRLVZHH-UHFFFAOYSA-N
XLogP1.09
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 121151967
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 121152261
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[3-(1-methylimidazol-2-yl)sulfonylazetidin-1-yl]methanone
CID 121152613
[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]-[4-(1,3-thiazol-2-yloxy)phenyl]methanone
CID 121152221
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
(2R)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)propanamide
CID 126446303
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)propanamide
CID 119070793
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55457251

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone (CID 91625053) is furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone is Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is RINCHTOGRLVZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-16-9-6-15-14(16)22(19,20)11-4-7-17(8-5-11)13(18)12-3-2-10-21-12/h2-3,6,9-11H,4-5,7-8H2,1H3.
What are the key properties of furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 323.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 91625053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).