N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide

C11H20N2O4S — CID 47447641

IUPACN-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C11H20N2O4S/c1-18(15,16)12-10-3-2-5-13(7-10)11(14)9-4-6-17-8-9/h9-10,12H,2-8H2,1H3
InChIKeyQMXUVLVAPGWSLE-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.44
Rot. Bonds3

About N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide

N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide (PubChem CID 47447641) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide
PubChem CID47447641
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC NameN-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C11H20N2O4S/c1-18(15,16)12-10-3-2-5-13(7-10)11(14)9-4-6-17-8-9/h9-10,12H,2-8H2,1H3
InChIKeyQMXUVLVAPGWSLE-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-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide (CID 47447641) is N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)C2CCOC2)C1.
What is the InChIKey of N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is QMXUVLVAPGWSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-18(15,16)12-10-3-2-5-13(7-10)11(14)9-4-6-17-8-9/h9-10,12H,2-8H2,1H3.
What are the key properties of N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide?
N-[1-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide 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-(oxolane-3-carbonyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 47447641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).