methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate

C13H24N2O4S — CID 79829978

IUPACmethyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O4S/c1-11-6-5-8-14(10-11)20(17,18)15-9-4-3-7-12(15)13(16)19-2/h11-12H,3-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyHPUFRMPMALLZOL-PIJUOVFKSA-N
MW304.41 g/mol
LogP0.99
Rot. Bonds3

About methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate

methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate (PubChem CID 79829978) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
PubChem CID79829978
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Namemethyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O4S/c1-11-6-5-8-14(10-11)20(17,18)15-9-4-3-7-12(15)13(16)19-2/h11-12H,3-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyHPUFRMPMALLZOL-PIJUOVFKSA-N
XLogP0.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
CID 43423409
(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide
CID 124728304
methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 22615687
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
2-(chloromethyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine
CID 55185745
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
methyl 1-piperidin-1-ylsulfonylazepane-3-carboxylate
CID 57416008
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403
2-isocyanato-1-(3-methylpiperidin-1-yl)sulfonylazepane
CID 64563667

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate (CID 79829978) is methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
The InChIKey is HPUFRMPMALLZOL-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-11-6-5-8-14(10-11)20(17,18)15-9-4-3-7-12(15)13(16)19-2/h11-12H,3-10H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate?
methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate has a molecular weight of 304.41 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 79829978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).