4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine

C14H27N3O2S — CID 107487788

IUPAC4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
SMILESCN(C1CCCCC1)S(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C14H27N3O2S/c1-17(14-5-3-2-4-6-14)20(18,19)16-12-9-13-7-10-15-11-8-13/h7,14-16H,2-6,8-12H2,1H3
InChIKeyUDQACEYRTQVDNL-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.40
Rot. Bonds6

About 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine

4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 107487788) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
PubChem CID107487788
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
SMILESCN(C1CCCCC1)S(=O)(=O)NCCC1=CCNCC1
InChIInChI=1S/C14H27N3O2S/c1-17(14-5-3-2-4-6-14)20(18,19)16-12-9-13-7-10-15-11-8-13/h7,14-16H,2-6,8-12H2,1H3
InChIKeyUDQACEYRTQVDNL-UHFFFAOYSA-N
XLogP1.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cycloheptanamine
CID 107489886
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
CID 55100441
3,3-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488249
[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
CID 63253809
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
CID 107487761
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidine-1-sulfonamide
CID 107487775
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclopentanecarboxamide
CID 107487262
1-[2-[[cyclohexyl(methyl)sulfamoyl]amino]acetyl]piperazine
CID 60894938
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 107487064
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 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine (CID 107487788) is 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine is CN(C1CCCCC1)S(=O)(=O)NCCC1=CCNCC1.
What is the InChIKey of 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is UDQACEYRTQVDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-17(14-5-3-2-4-6-14)20(18,19)16-12-9-13-7-10-15-11-8-13/h7,14-16H,2-6,8-12H2,1H3.
What are the key properties of 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine?
4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 301.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 107487788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).