methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate

C10H19NO6S2 — CID 79005471

IUPACmethyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H19NO6S2/c1-17-10(12)9-5-3-4-6-11(9)19(15,16)8-7-18(2,13)14/h9H,3-8H2,1-2H3
InChIKeyNKROBKUCHLDAFP-UHFFFAOYSA-N
MW313.40 g/mol
LogP-0.61
Rot. Bonds5

About methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate

methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate (PubChem CID 79005471) has the molecular formula C10H19NO6S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
PubChem CID79005471
Molecular FormulaC10H19NO6S2
Molecular Weight313.40 g/mol
Exact Mass313.07
IUPAC Namemethyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C10H19NO6S2/c1-17-10(12)9-5-3-4-6-11(9)19(15,16)8-7-18(2,13)14/h9H,3-8H2,1-2H3
InChIKeyNKROBKUCHLDAFP-UHFFFAOYSA-N
XLogP-0.61
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone
CID 63845863
methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
CID 78954390
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
4-(2-methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 54876199
methyl (2R)-1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carboxylate
CID 83058935
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate (CID 79005471) is methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate?
The InChIKey is NKROBKUCHLDAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6S2/c1-17-10(12)9-5-3-4-6-11(9)19(15,16)8-7-18(2,13)14/h9H,3-8H2,1-2H3.
What are the key properties of methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate?
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate has a molecular weight of 313.40 g/mol, XLogP of -0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79005471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).