methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride

C9H18ClNO4S — CID 72716377

IUPACmethyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
SMILESCOC(=O)CS(=O)(=O)CC1CCCCN1.Cl
InChIInChI=1S/C9H17NO4S.ClH/c1-14-9(11)7-15(12,13)6-8-4-2-3-5-10-8;/h8,10H,2-7H2,1H3;1H
InChIKeyQPMQJANQQZFBMH-UHFFFAOYSA-N
MW271.77 g/mol
LogP0.14
Rot. Bonds4

About methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride

methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride (PubChem CID 72716377) has the molecular formula C9H18ClNO4S and a molecular weight of 271.77 g/mol. Its IUPAC name is methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
PubChem CID72716377
Molecular FormulaC9H18ClNO4S
Molecular Weight271.77 g/mol
Exact Mass271.06
IUPAC Namemethyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride
SMILESCOC(=O)CS(=O)(=O)CC1CCCCN1.Cl
InChIInChI=1S/C9H17NO4S.ClH/c1-14-9(11)7-15(12,13)6-8-4-2-3-5-10-8;/h8,10H,2-7H2,1H3;1H
InChIKeyQPMQJANQQZFBMH-UHFFFAOYSA-N
XLogP0.14
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 4-piperidin-2-ylbutanoate;hydrochloride
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(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
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2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
methyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]acetate
CID 106609757
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
2-ethylpiperidine;hydrobromide
CID 131717239

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride?
The IUPAC name of methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride (CID 72716377) is methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride is COC(=O)CS(=O)(=O)CC1CCCCN1.Cl.
What is the InChIKey of methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride?
The InChIKey is QPMQJANQQZFBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S.ClH/c1-14-9(11)7-15(12,13)6-8-4-2-3-5-10-8;/h8,10H,2-7H2,1H3;1H.
What are the key properties of methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride?
methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride has a molecular weight of 271.77 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperidin-2-ylmethylsulfonyl)acetate;hydrochloride is sourced from PubChem (CID 72716377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).