(1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride

C7H14ClNO4S2 — CID 75481394

IUPAC(1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride
SMILESCS(=O)(=O)N1CCC(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C7H14ClNO4S2/c1-14(10,11)9-4-2-7(3-5-9)6-15(8,12)13/h7H,2-6H2,1H3
InChIKeyAHEYASLLVRLEDN-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.23
Rot. Bonds3

About (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride

(1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride (PubChem CID 75481394) has the molecular formula C7H14ClNO4S2 and a molecular weight of 275.78 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride
PubChem CID75481394
Molecular FormulaC7H14ClNO4S2
Molecular Weight275.78 g/mol
Exact Mass275.01
IUPAC Name(1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride
SMILESCS(=O)(=O)N1CCC(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C7H14ClNO4S2/c1-14(10,11)9-4-2-7(3-5-9)6-15(8,12)13/h7H,2-6H2,1H3
InChIKeyAHEYASLLVRLEDN-UHFFFAOYSA-N
XLogP0.23
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride (CID 75481394) is (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride is CS(=O)(=O)N1CCC(CS(=O)(=O)Cl)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride?
The InChIKey is AHEYASLLVRLEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO4S2/c1-14(10,11)9-4-2-7(3-5-9)6-15(8,12)13/h7H,2-6H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride?
(1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride has a molecular weight of 275.78 g/mol, XLogP of 0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 75481394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).