[1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride

C11H20ClNO3S — CID 156806252

IUPAC[1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCN(C2CCOCC2)C1
InChIInChI=1S/C11H20ClNO3S/c12-17(14,15)9-10-2-1-5-13(8-10)11-3-6-16-7-4-11/h10-11H,1-9H2
InChIKeyFWFYRDBDAKCRPG-UHFFFAOYSA-N
MW281.81 g/mol
LogP1.45
Rot. Bonds3

About [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride

[1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride (PubChem CID 156806252) has the molecular formula C11H20ClNO3S and a molecular weight of 281.81 g/mol. Its IUPAC name is [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride
PubChem CID156806252
Molecular FormulaC11H20ClNO3S
Molecular Weight281.81 g/mol
Exact Mass281.09
IUPAC Name[1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1CCCN(C2CCOCC2)C1
InChIInChI=1S/C11H20ClNO3S/c12-17(14,15)9-10-2-1-5-13(8-10)11-3-6-16-7-4-11/h10-11H,1-9H2
InChIKeyFWFYRDBDAKCRPG-UHFFFAOYSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride (CID 156806252) is [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC1CCCN(C2CCOCC2)C1.
What is the InChIKey of [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride?
The InChIKey is FWFYRDBDAKCRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO3S/c12-17(14,15)9-10-2-1-5-13(8-10)11-3-6-16-7-4-11/h10-11H,1-9H2.
What are the key properties of [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride?
[1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride has a molecular weight of 281.81 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)piperidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 156806252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).