furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone

C15H22N2O5S — CID 102555700

IUPACfuran-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(S(=O)(=O)CC2CCCCO2)CC1
InChIInChI=1S/C15H22N2O5S/c18-15(13-4-10-21-11-13)16-5-7-17(8-6-16)23(19,20)12-14-3-1-2-9-22-14/h4,10-11,14H,1-3,5-9,12H2
InChIKeyOIHFBXSQWYMMDU-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.94
Rot. Bonds4

About furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone

furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone (PubChem CID 102555700) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone
PubChem CID102555700
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Namefuran-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(S(=O)(=O)CC2CCCCO2)CC1
InChIInChI=1S/C15H22N2O5S/c18-15(13-4-10-21-11-13)16-5-7-17(8-6-16)23(19,20)12-14-3-1-2-9-22-14/h4,10-11,14H,1-3,5-9,12H2
InChIKeyOIHFBXSQWYMMDU-UHFFFAOYSA-N
XLogP0.94
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylsulfonyl-1,4-diazepan-1-yl)-(furan-3-yl)methanone
CID 53016384
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
1-(3,3-dimethylbutyl)-4-[[(2R)-oxan-2-yl]methylsulfonyl]piperazine
CID 97006074
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
1-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine
CID 119974611
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
3-cyclopropyl-1-(oxan-2-ylmethylsulfonyl)azetidin-3-ol
CID 154797563
(3S,4S)-4-methyl-1-(oxan-2-ylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122104081
(3R)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366066
(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366065
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone (CID 102555700) is furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(S(=O)(=O)CC2CCCCO2)CC1.
What is the InChIKey of furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone?
The InChIKey is OIHFBXSQWYMMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c18-15(13-4-10-21-11-13)16-5-7-17(8-6-16)23(19,20)12-14-3-1-2-9-22-14/h4,10-11,14H,1-3,5-9,12H2.
What are the key properties of furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone?
furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(oxan-2-ylmethylsulfonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 102555700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).