methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate

C8H14ClNO4S — CID 138991532

IUPACmethyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C8H14ClNO4S/c1-14-8(11)5-7-3-2-4-10(6-7)15(9,12)13/h7H,2-6H2,1H3
InChIKeyDVKZOQOQPPSVCT-UHFFFAOYSA-N
MW255.72 g/mol
LogP0.75
Rot. Bonds3

About methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate

methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate (PubChem CID 138991532) has the molecular formula C8H14ClNO4S and a molecular weight of 255.72 g/mol. Its IUPAC name is methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate
PubChem CID138991532
Molecular FormulaC8H14ClNO4S
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Namemethyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCCN(S(=O)(=O)Cl)C1
InChIInChI=1S/C8H14ClNO4S/c1-14-8(11)5-7-3-2-4-10(6-7)15(9,12)13/h7H,2-6H2,1H3
InChIKeyDVKZOQOQPPSVCT-UHFFFAOYSA-N
XLogP0.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate?
The IUPAC name of methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate (CID 138991532) is methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate is COC(=O)CC1CCCN(S(=O)(=O)Cl)C1.
What is the InChIKey of methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate?
The InChIKey is DVKZOQOQPPSVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO4S/c1-14-8(11)5-7-3-2-4-10(6-7)15(9,12)13/h7H,2-6H2,1H3.
What are the key properties of methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate?
methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate has a molecular weight of 255.72 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-chlorosulfonylpiperidin-3-yl)acetate is sourced from PubChem (CID 138991532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).