methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate

C8H16N2O4S — CID 104978218

IUPACmethyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
SMILESCNS(=O)(=O)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C8H16N2O4S/c1-9-15(12,13)10-5-3-4-7(6-10)8(11)14-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyAMHAJNKVDLNVMZ-ZETCQYMHSA-N
MW236.29 g/mol
LogP-0.66
Rot. Bonds3

About methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate

methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate (PubChem CID 104978218) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
PubChem CID104978218
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Namemethyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
SMILESCNS(=O)(=O)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C8H16N2O4S/c1-9-15(12,13)10-5-3-4-7(6-10)8(11)14-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyAMHAJNKVDLNVMZ-ZETCQYMHSA-N
XLogP-0.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
CID 104929271
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
methyl (3S)-1-propan-2-ylsulfonylpiperidine-3-carboxylate
CID 79032500
methyl 1-piperidin-1-ylsulfonylazepane-3-carboxylate
CID 57416008
methyl (3S)-1-(difluoromethylsulfonyl)piperidine-3-carboxylate
CID 79032540
methyl (3S)-1-(cyanomethylsulfonyl)piperidine-3-carboxylate
CID 115536270
methyl (3S)-1-(3-methylbutylsulfonyl)piperidine-3-carboxylate
CID 79032932
N-(2-aminoethyl)-1-(methylsulfamoyl)piperidine-3-carboxamide
CID 114810707
methyl 1-(3-chloropropylsulfonyl)piperidine-3-carboxylate
CID 115536328
methyl (3S)-1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylate
CID 115536276
methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
CID 115602676
methyl (3S)-1-(4-cyanophenyl)sulfonylpiperidine-3-carboxylate
CID 79031900

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate (CID 104978218) is methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate is CNS(=O)(=O)N1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate?
The InChIKey is AMHAJNKVDLNVMZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-9-15(12,13)10-5-3-4-7(6-10)8(11)14-2/h7,9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate?
methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate has a molecular weight of 236.29 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 104978218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).