N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide

C11H20N2O4S — CID 47447996

IUPACN-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C2CCOC2)C1
InChIInChI=1S/C11H20N2O4S/c1-18(15,16)13-5-2-3-10(7-13)12-11(14)9-4-6-17-8-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyAXZUTUYSLBPLNT-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.44
Rot. Bonds3

About N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide

N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide (PubChem CID 47447996) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide
PubChem CID47447996
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(NC(=O)C2CCOC2)C1
InChIInChI=1S/C11H20N2O4S/c1-18(15,16)13-5-2-3-10(7-13)12-11(14)9-4-6-17-8-9/h9-10H,2-8H2,1H3,(H,12,14)
InChIKeyAXZUTUYSLBPLNT-UHFFFAOYSA-N
XLogP-0.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide (CID 47447996) is N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide is CS(=O)(=O)N1CCCC(NC(=O)C2CCOC2)C1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide?
The InChIKey is AXZUTUYSLBPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-18(15,16)13-5-2-3-10(7-13)12-11(14)9-4-6-17-8-9/h9-10H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide?
N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 47447996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).