ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate

C10H18N2O4S — CID 114694281

IUPACethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C10H18N2O4S/c1-2-16-10(13)8-17(14,15)12-7-9-3-5-11-6-4-9/h3,11-12H,2,4-8H2,1H3
InChIKeyAJSKWNQTCGHMRI-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.61
Rot. Bonds6

About ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate

ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate (PubChem CID 114694281) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
PubChem CID114694281
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C10H18N2O4S/c1-2-16-10(13)8-17(14,15)12-7-9-3-5-11-6-4-9/h3,11-12H,2,4-8H2,1H3
InChIKeyAJSKWNQTCGHMRI-UHFFFAOYSA-N
XLogP-0.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
CID 107487761
2-methoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide;hydrochloride
CID 120721104
methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
CID 114694270
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648
ethyl 2-(1H-pyrazol-5-ylmethylsulfamoyl)acetate
CID 61457429
ethyl 2-methyl-3-nitro-5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)benzoate
CID 120721539
2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 114694284
1,1,1-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide
CID 114694187
methyl 5-methyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)furan-2-carboxylate
CID 120721777
1-cyano-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide
CID 114694199
ethyl 2-[[3-(hydroxymethyl)phenyl]methylsulfamoyl]acetate
CID 63311718
ethyl 2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfamoyl)acetate
CID 63900518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate (CID 114694281) is ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NCC1=CCNCC1.
What is the InChIKey of ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate?
The InChIKey is AJSKWNQTCGHMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-2-16-10(13)8-17(14,15)12-7-9-3-5-11-6-4-9/h3,11-12H,2,4-8H2,1H3.
What are the key properties of ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate?
ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate has a molecular weight of 262.33 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate is sourced from PubChem (CID 114694281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).