methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate

C10H17NO4S — CID 79033025

IUPACmethyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17NO4S/c1-15-10(12)9-4-2-3-7-11(9)16(13,14)8-5-6-8/h8-9H,2-7H2,1H3
InChIKeySUZCBDAMAOSXCR-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.51
Rot. Bonds3

About methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate

methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate (PubChem CID 79033025) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
PubChem CID79033025
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Namemethyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1S(=O)(=O)C1CC1
InChIInChI=1S/C10H17NO4S/c1-15-10(12)9-4-2-3-7-11(9)16(13,14)8-5-6-8/h8-9H,2-7H2,1H3
InChIKeySUZCBDAMAOSXCR-UHFFFAOYSA-N
XLogP0.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylate
CID 79836478
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
tert-butyl (2S)-1-cyclopropylsulfonylpyrrolidine-2-carboxylate
CID 81004849
methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
1-[(2S)-1-cyclopropylsulfonylpiperidin-2-yl]propan-1-one
CID 99786176
methyl 1-(2-methylpropylsulfamoyl)piperidine-2-carboxylate
CID 114816360
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
CID 78954390
methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 22615687
methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 79829978
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815

Frequently Asked Questions

What is the IUPAC name of methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate (CID 79033025) is methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate is COC(=O)C1CCCCN1S(=O)(=O)C1CC1.
What is the InChIKey of methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate?
The InChIKey is SUZCBDAMAOSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-15-10(12)9-4-2-3-7-11(9)16(13,14)8-5-6-8/h8-9H,2-7H2,1H3.
What are the key properties of methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate?
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate has a molecular weight of 247.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 79033025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).