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

C10H19NO4S — CID 106942750

IUPACethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
SMILESCCOC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H19NO4S/c1-3-15-10(12)7-9-5-4-6-11(8-9)16(2,13)14/h9H,3-8H2,1-2H3
InChIKeyDOROIRPKLQVILS-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.61
Rot. Bonds4

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

ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate (PubChem CID 106942750) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
PubChem CID106942750
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Nameethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
SMILESCCOC(=O)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C10H19NO4S/c1-3-15-10(12)7-9-5-4-6-11(8-9)16(2,13)14/h9H,3-8H2,1-2H3
InChIKeyDOROIRPKLQVILS-UHFFFAOYSA-N
XLogP0.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
Methyl 2-(1-(chlorosulfonyl)piperidin-3-yl)acetate
CID 138991532
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
propan-2-yl 2-[(3R)-1-methylsulfonylpiperidin-3-yl]acetate
CID 164638801
Methyl 2-[(3,5-dimethylpiperidin-1-yl)sulfonyl]cyclopentane-1-carboxylate
CID 86819368
Ethyl 1-propan-2-ylsulfonylpiperidine-4-carboxylate
CID 21334237
Methyl 2-methyl-6-[methyl(methylsulfonyl)amino]hexanoate
CID 23563403
(1-Methanesulfonyl-piperidin-4-yl)-acetic acid ethyl ester
CID 57586241
Ethyl 7-(methylsulfonyl)-7-azaspiro[3.5]nonane-2-carboxylate
CID 59333125
Methyl 4-(1-methylsulfonylpiperidin-4-yl)butanoate
CID 59786127
3-(1-Methanesulfonyl-piperidin-4-yl)-propionic acid
CID 62216971

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate (CID 106942750) is ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate is CCOC(=O)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
The InChIKey is DOROIRPKLQVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-15-10(12)7-9-5-4-6-11(8-9)16(2,13)14/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate?
ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate has a molecular weight of 249.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methylsulfonylpiperidin-3-yl)acetate is sourced from PubChem (CID 106942750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).