methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate

C10H18N2O4S — CID 107487761

IUPACmethyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C10H18N2O4S/c1-16-10(13)8-17(14,15)12-7-4-9-2-5-11-6-3-9/h2,11-12H,3-8H2,1H3
InChIKeyPGLRBEHEDJOHPF-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.61
Rot. Bonds6

About methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate

methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate (PubChem CID 107487761) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
PubChem CID107487761
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Namemethyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C10H18N2O4S/c1-16-10(13)8-17(14,15)12-7-4-9-2-5-11-6-3-9/h2,11-12H,3-8H2,1H3
InChIKeyPGLRBEHEDJOHPF-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

3,3-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488249
ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
CID 114694281
4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488158
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
methyl 2-(2-phenylethylsulfamoyl)acetate
CID 121221492
methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
CID 114694270
4-methoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butanamide
CID 107487317
4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
CID 107487788
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
CID 107487775
methyl 2-(2-piperidin-4-yloxyethylsulfamoyl)acetate
CID 63870829
2-(1-methoxycyclobutyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486968
2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide
CID 107487871

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate?
The IUPAC name of methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate (CID 107487761) is methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate.
What is the SMILES notation for methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate?
The canonical SMILES for methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate is COC(=O)CS(=O)(=O)NCCC1=CCNCC1.
What is the InChIKey of methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate?
The InChIKey is PGLRBEHEDJOHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-16-10(13)8-17(14,15)12-7-4-9-2-5-11-6-3-9/h2,11-12H,3-8H2,1H3.
What are the key properties of methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate?
methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]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 methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate is sourced from PubChem (CID 107487761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).