ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate

C9H18N2O4S — CID 43351239

IUPACethyl 1-(methylsulfamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NC)C1
InChIInChI=1S/C9H18N2O4S/c1-3-15-9(12)8-5-4-6-11(7-8)16(13,14)10-2/h8,10H,3-7H2,1-2H3
InChIKeyCDLGMHPWMKHIAI-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.27
Rot. Bonds4

About ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate

ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate (PubChem CID 43351239) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylsulfamoyl)piperidine-3-carboxylate
PubChem CID43351239
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Nameethyl 1-(methylsulfamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)NC)C1
InChIInChI=1S/C9H18N2O4S/c1-3-15-9(12)8-5-4-6-11(7-8)16(13,14)10-2/h8,10H,3-7H2,1-2H3
InChIKeyCDLGMHPWMKHIAI-UHFFFAOYSA-N
XLogP-0.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate (CID 43351239) is ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)NC)C1.
What is the InChIKey of ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate?
The InChIKey is CDLGMHPWMKHIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-15-9(12)8-5-4-6-11(7-8)16(13,14)10-2/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate?
ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate has a molecular weight of 250.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylsulfamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 43351239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).