methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate

C10H20N2O4S — CID 54899531

IUPACmethyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C10H20N2O4S/c1-11(2)17(14,15)12-7-5-4-6-9(12)8-10(13)16-3/h9H,4-8H2,1-3H3
InChIKeyLOWDQUDWTXZWGC-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.21
Rot. Bonds4

About methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate

methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate (PubChem CID 54899531) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate
PubChem CID54899531
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Namemethyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)N(C)C
InChIInChI=1S/C10H20N2O4S/c1-11(2)17(14,15)12-7-5-4-6-9(12)8-10(13)16-3/h9H,4-8H2,1-3H3
InChIKeyLOWDQUDWTXZWGC-UHFFFAOYSA-N
XLogP0.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate (CID 54899531) is methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1S(=O)(=O)N(C)C.
What is the InChIKey of methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate?
The InChIKey is LOWDQUDWTXZWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11(2)17(14,15)12-7-5-4-6-9(12)8-10(13)16-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate?
methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate has a molecular weight of 264.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 54899531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).