methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate

C11H20N2O4S — CID 79830606

IUPACmethyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H20N2O4S/c1-17-11(14)10-6-2-3-9-13(10)18(15,16)12-7-4-5-8-12/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyRADWLYYVLINNKS-SNVBAGLBSA-N
MW276.36 g/mol
LogP0.35
Rot. Bonds3

About methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate

methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate (PubChem CID 79830606) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
PubChem CID79830606
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Namemethyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C11H20N2O4S/c1-17-11(14)10-6-2-3-9-13(10)18(15,16)12-7-4-5-8-12/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyRADWLYYVLINNKS-SNVBAGLBSA-N
XLogP0.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423409
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403
methyl 1-piperidin-1-ylsulfonylazepane-3-carboxylate
CID 57416008
methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
methyl (2R)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylate
CID 79836478
ethyl (2R)-1-thiomorpholin-4-ylsulfonylpiperidine-2-carboxylate
CID 94810365
methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
CID 78954390

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate (CID 79830606) is methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCCC1.
What is the InChIKey of methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate?
The InChIKey is RADWLYYVLINNKS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-17-11(14)10-6-2-3-9-13(10)18(15,16)12-7-4-5-8-12/h10H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate?
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 79830606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).