methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate

C9H18N2O4S — CID 56828082

IUPACmethyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCS(N)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-15-9(12)8-2-4-11(5-3-8)6-7-16(10,13)14/h8H,2-7H2,1H3,(H2,10,13,14)
InChIKeyAKYOQUSGOPGRHZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.84
Rot. Bonds4

About methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate

methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate (PubChem CID 56828082) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
PubChem CID56828082
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCS(N)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-15-9(12)8-2-4-11(5-3-8)6-7-16(10,13)14/h8H,2-7H2,1H3,(H2,10,13,14)
InChIKeyAKYOQUSGOPGRHZ-UHFFFAOYSA-N
XLogP-0.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
Ethyl 1-(methylsulfonyl)piperidine-4-carboxylate
CID 669104
1-(Propane-1-sulfonyl)piperidine-4-carboxylic acid
CID 4047204
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid hydrochloride
CID 75422240
Methyl 1-(imino(methyl)oxo-lambda6-sulfanyl)piperidine-4-carboxylate hydrochloride
CID 145874326
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
Methyl 4-[4-(trifluoromethyl)piperidin-1-yl]sulfonylbutanoate
CID 65534243
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid
CID 75422241
Ethyl 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylate
CID 82898139
Methyl 1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboxylate
CID 82901665

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate (CID 56828082) is methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCS(N)(=O)=O)CC1.
What is the InChIKey of methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate?
The InChIKey is AKYOQUSGOPGRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-15-9(12)8-2-4-11(5-3-8)6-7-16(10,13)14/h8H,2-7H2,1H3,(H2,10,13,14).
What are the key properties of methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate?
methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate has a molecular weight of 250.32 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 56828082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).