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

C9H16N2O6S — CID 104929271

IUPACmethyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
SMILESCOC(=O)NS(=O)(=O)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C9H16N2O6S/c1-16-8(12)7-4-3-5-11(6-7)18(14,15)10-9(13)17-2/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyUJCHJCWEAOVVAI-ZETCQYMHSA-N
MW280.30 g/mol
LogP-0.53
Rot. Bonds3

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

methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate (PubChem CID 104929271) has the molecular formula C9H16N2O6S and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
PubChem CID104929271
Molecular FormulaC9H16N2O6S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Namemethyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate
SMILESCOC(=O)NS(=O)(=O)N1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C9H16N2O6S/c1-16-8(12)7-4-3-5-11(6-7)18(14,15)10-9(13)17-2/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyUJCHJCWEAOVVAI-ZETCQYMHSA-N
XLogP-0.53
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-1-(methylsulfamoyl)piperidine-3-carboxylate
CID 104978218
methyl N-(3-bromopiperidin-1-yl)sulfonylcarbamate
CID 114466569
methyl (3S)-1-piperidin-1-ylsulfonylpiperidine-3-carboxylate
CID 79033124
methyl N-(3-formylpiperidin-1-yl)sulfonylcarbamate
CID 114467155
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
(3S)-1-(propan-2-yloxycarbonylsulfamoyl)piperidine-3-carboxylic acid
CID 104929168
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
methyl (3S)-1-(1,1-dioxothiolan-3-yl)sulfonylpiperidine-3-carboxylate
CID 115536276
methyl N-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylcarbamate
CID 114464672

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate (CID 104929271) is methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate is COC(=O)NS(=O)(=O)N1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate?
The InChIKey is UJCHJCWEAOVVAI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O6S/c1-16-8(12)7-4-3-5-11(6-7)18(14,15)10-9(13)17-2/h7H,3-6H2,1-2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate?
methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate has a molecular weight of 280.30 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(methoxycarbonylsulfamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 104929271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).