1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one

C14H20N2O5S — CID 129009412

IUPAC1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one
SMILESCc1ccc(N2CCN(S(=O)(=O)CC3CCCO3)CC2=O)o1
InChIInChI=1S/C14H20N2O5S/c1-11-4-5-14(21-11)16-7-6-15(9-13(16)17)22(18,19)10-12-3-2-8-20-12/h4-5,12H,2-3,6-10H2,1H3
InChIKeyFJZWSYVJFCLKIU-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.75
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one

1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one (PubChem CID 129009412) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one
PubChem CID129009412
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one
SMILESCc1ccc(N2CCN(S(=O)(=O)CC3CCCO3)CC2=O)o1
InChIInChI=1S/C14H20N2O5S/c1-11-4-5-14(21-11)16-7-6-15(9-13(16)17)22(18,19)10-12-3-2-8-20-12/h4-5,12H,2-3,6-10H2,1H3
InChIKeyFJZWSYVJFCLKIU-UHFFFAOYSA-N
XLogP0.75
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
3-ethyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 81460858
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
CID 119961556
4-[2-(4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 134813124
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
(2R)-2-(methylsulfonylmethyl)oxolane
CID 68993549
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
1-(oxolan-2-ylmethylsulfonyl)azepan-2-amine
CID 64560160
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one?
The IUPAC name of 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one (CID 129009412) is 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one?
The canonical SMILES for 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one is Cc1ccc(N2CCN(S(=O)(=O)CC3CCCO3)CC2=O)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one?
The InChIKey is FJZWSYVJFCLKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-11-4-5-14(21-11)16-7-6-15(9-13(16)17)22(18,19)10-12-3-2-8-20-12/h4-5,12H,2-3,6-10H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one?
1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one has a molecular weight of 328.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-4-(oxolan-2-ylmethylsulfonyl)piperazin-2-one is sourced from PubChem (CID 129009412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).