methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate

C11H21NO4S — CID 54899393

IUPACmethyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)C(C)C
InChIInChI=1S/C11H21NO4S/c1-9(2)17(14,15)12-7-5-4-6-10(12)8-11(13)16-3/h9-10H,4-8H2,1-3H3
InChIKeyFZRKLCQULRYCMN-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate

methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate (PubChem CID 54899393) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate
PubChem CID54899393
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate
SMILESCOC(=O)CC1CCCCN1S(=O)(=O)C(C)C
InChIInChI=1S/C11H21NO4S/c1-9(2)17(14,15)12-7-5-4-6-10(12)8-11(13)16-3/h9-10H,4-8H2,1-3H3
InChIKeyFZRKLCQULRYCMN-UHFFFAOYSA-N
XLogP1.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[1-(trifluoromethylsulfonyl)piperidin-2-yl]acetate
CID 54899437
Methyl 2-[1-(difluoromethylsulfonyl)piperidin-2-yl]acetate
CID 54899669
Methyl 2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]acetate
CID 83048178
2-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-2-yl]acetic acid
CID 83068690
2-[1-(3-Fluoropropylsulfonyl)piperidin-2-yl]acetic acid
CID 137927422
Methyl 2-(5-methyl-1-methylsulfonylpyrrolidin-2-yl)acetate
CID 59877331
Methyl 3-[3-(dimethylamino)propyl-undecylsulfonylamino]dodecanoate
CID 169107441
Methyl 3-[3-(dimethylamino)propyl-octylsulfonylamino]dodecanoate
CID 169107714
Methyl 3-[3-(dimethylamino)propyl-ethylsulfonylamino]dodecanoate
CID 169107739
2-[1-(2-Ethylsulfonylethyl)piperidin-2-yl]acetic acid
CID 54899494
Methyl 2-[1-(3-methylsulfonylpropanoyl)piperidin-2-yl]acetate
CID 54899516
Methyl 2-[1-(dimethylsulfamoyl)piperidin-2-yl]acetate
CID 54899531

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate?
The IUPAC name of methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate (CID 54899393) is methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate?
The canonical SMILES for methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate is COC(=O)CC1CCCCN1S(=O)(=O)C(C)C.
What is the InChIKey of methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate?
The InChIKey is FZRKLCQULRYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-9(2)17(14,15)12-7-5-4-6-10(12)8-11(13)16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate?
methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate has a molecular weight of 263.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propan-2-ylsulfonylpiperidin-2-yl)acetate is sourced from PubChem (CID 54899393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).