(1-acetylpiperidin-4-yl)methanesulfonyl chloride

C8H14ClNO3S — CID 56828598

IUPAC(1-acetylpiperidin-4-yl)methanesulfonyl chloride
SMILESCC(=O)N1CCC(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3
InChIKeyTVZIXXBSPCHQHQ-UHFFFAOYSA-N
MW239.72 g/mol
LogP0.81
Rot. Bonds2

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

(1-acetylpiperidin-4-yl)methanesulfonyl chloride (PubChem CID 56828598) has the molecular formula C8H14ClNO3S and a molecular weight of 239.72 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl)methanesulfonyl chloride
PubChem CID56828598
Molecular FormulaC8H14ClNO3S
Molecular Weight239.72 g/mol
Exact Mass239.04
IUPAC Name(1-acetylpiperidin-4-yl)methanesulfonyl chloride
SMILESCC(=O)N1CCC(CS(=O)(=O)Cl)CC1
InChIInChI=1S/C8H14ClNO3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3
InChIKeyTVZIXXBSPCHQHQ-UHFFFAOYSA-N
XLogP0.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl)methanesulfonyl chloride?
The IUPAC name of (1-acetylpiperidin-4-yl)methanesulfonyl chloride (CID 56828598) is (1-acetylpiperidin-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (1-acetylpiperidin-4-yl)methanesulfonyl chloride?
The canonical SMILES for (1-acetylpiperidin-4-yl)methanesulfonyl chloride is CC(=O)N1CCC(CS(=O)(=O)Cl)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl)methanesulfonyl chloride?
The InChIKey is TVZIXXBSPCHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO3S/c1-7(11)10-4-2-8(3-5-10)6-14(9,12)13/h8H,2-6H2,1H3.
What are the key properties of (1-acetylpiperidin-4-yl)methanesulfonyl chloride?
(1-acetylpiperidin-4-yl)methanesulfonyl chloride has a molecular weight of 239.72 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 56828598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).