methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate

C7H14N2O4S — CID 7161675

IUPACmethyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CNCCN1S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)6-5-8-3-4-9(6)14(2,11)12/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyUPDQKYWQBDJMMO-ZCFIWIBFSA-N
MW222.27 g/mol
LogP-1.61
Rot. Bonds2

About methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate

methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate (PubChem CID 7161675) has the molecular formula C7H14N2O4S and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
PubChem CID7161675
Molecular FormulaC7H14N2O4S
Molecular Weight222.27 g/mol
Exact Mass222.07
IUPAC Namemethyl (2R)-1-methylsulfonylpiperazine-2-carboxylate
SMILESCOC(=O)[C@H]1CNCCN1S(C)(=O)=O
InChIInChI=1S/C7H14N2O4S/c1-13-7(10)6-5-8-3-4-9(6)14(2,11)12/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyUPDQKYWQBDJMMO-ZCFIWIBFSA-N
XLogP-1.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate
CID 10736622
methyl 1-methylsulfonyl-4-(propan-2-ylcarbamoyl)piperazine-2-carboxylate
CID 78455003
methyl (2S)-4-(benzenesulfonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161589
methyl (2S)-4-(cyclopentanecarbonyl)-1-methylsulfonylpiperazine-2-carboxylate
CID 7161585
1-sulfamoylpiperazine-2-carboxylic acid
CID 114959379
methyl (2S)-1-(2-amino-2-methylpropanoyl)piperazine-2-carboxylate
CID 154651315
azane;1-O-tert-butyl 2-O-methyl piperazine-1,2-dicarboxylate
CID 154966146
N-propan-2-yl-1-sulfamoylpiperazine-2-carboxamide
CID 170311116
N,N-dimethyl-1-sulfamoylpiperazine-2-carboxamide
CID 114959382
methyl 3-methylsulfonyl-1,1-dioxo-1,3-thiazolidine-4-carboxylate
CID 3613892
methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 7161590
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate?
The IUPAC name of methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate (CID 7161675) is methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate is COC(=O)[C@H]1CNCCN1S(C)(=O)=O.
What is the InChIKey of methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate?
The InChIKey is UPDQKYWQBDJMMO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O4S/c1-13-7(10)6-5-8-3-4-9(6)14(2,11)12/h6,8H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate?
methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate has a molecular weight of 222.27 g/mol, XLogP of -1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-methylsulfonylpiperazine-2-carboxylate is sourced from PubChem (CID 7161675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).