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

C9H17NO4S — CID 106942546

IUPACmethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H17NO4S/c1-14-9(11)6-8-4-3-5-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3
InChIKeyGZCXPJUGMSSXLK-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.22
Rot. Bonds3

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

methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate (PubChem CID 106942546) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
PubChem CID106942546
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Namemethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H17NO4S/c1-14-9(11)6-8-4-3-5-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3
InChIKeyGZCXPJUGMSSXLK-UHFFFAOYSA-N
XLogP0.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]acetate
CID 79623241
1-(1-methoxycyclobutyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116707033
1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116562490
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116747630
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
3-methoxy-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 116746747
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
1-(4-methoxyoxan-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116748724
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
1-(2,2-dimethylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 107003956
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The IUPAC name of methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate (CID 106942546) is methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate is COC(=O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The InChIKey is GZCXPJUGMSSXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-14-9(11)6-8-4-3-5-10(7-8)15(2,12)13/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate has a molecular weight of 235.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate is sourced from PubChem (CID 106942546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).