ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate

C13H25NO5S — CID 176706779

IUPACethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate
SMILESCC.CC(=O)OC1CCN(C(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H19NO5S.C2H6/c1-9(13)17-10-3-6-12(7-4-10)11(14)5-8-18(2,15)16;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyNSUUPLHTRDOHIC-UHFFFAOYSA-N
MW307.41 g/mol
LogP1.00
Rot. Bonds4

About ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate

ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate (PubChem CID 176706779) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Nameethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate
PubChem CID176706779
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC Nameethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate
SMILESCC.CC(=O)OC1CCN(C(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H19NO5S.C2H6/c1-9(13)17-10-3-6-12(7-4-10)11(14)5-8-18(2,15)16;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyNSUUPLHTRDOHIC-UHFFFAOYSA-N
XLogP1.00
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate?
The IUPAC name of ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate (CID 176706779) is ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate.
What is the SMILES notation for ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate?
The canonical SMILES for ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate is CC.CC(=O)OC1CCN(C(=O)CCS(C)(=O)=O)CC1.
What is the InChIKey of ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate?
The InChIKey is NSUUPLHTRDOHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S.C2H6/c1-9(13)17-10-3-6-12(7-4-10)11(14)5-8-18(2,15)16;1-2/h10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate?
ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate has a molecular weight of 307.41 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(3-methylsulfonylpropanoyl)piperidin-4-yl] acetate is sourced from PubChem (CID 176706779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).