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

C10H21N3O2S — CID 120721245

IUPAC4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine
SMILESCCCN(C)S(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C10H21N3O2S/c1-3-8-13(2)16(14,15)12-9-10-4-6-11-7-5-10/h4,11-12H,3,5-9H2,1-2H3
InChIKeyLELAIKMODVVLQF-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.08
Rot. Bonds6

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

4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine (PubChem CID 120721245) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine
PubChem CID120721245
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine
SMILESCCCN(C)S(=O)(=O)NCC1=CCNCC1
InChIInChI=1S/C10H21N3O2S/c1-3-8-13(2)16(14,15)12-9-10-4-6-11-7-5-10/h4,11-12H,3,5-9H2,1-2H3
InChIKeyLELAIKMODVVLQF-UHFFFAOYSA-N
XLogP0.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.08
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

4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 120721128
1,1,1-trifluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide
CID 114694187
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)propanamide
CID 114693648
ethyl 2-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)acetate
CID 114694281
1-cyano-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)ethanesulfonamide
CID 114694199
methyl N-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)carbamate
CID 114694270
2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 114694284
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 120721467
4-fluoro-3,5-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721836
3-bromo-4-ethoxy-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721735
1-(4-fluorophenyl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)methanesulfonamide;hydrochloride
CID 120721376
4-ethylsulfonyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)aniline
CID 114694363

Frequently Asked Questions

What is the IUPAC name of 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine (CID 120721245) is 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine is CCCN(C)S(=O)(=O)NCC1=CCNCC1.
What is the InChIKey of 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is LELAIKMODVVLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-3-8-13(2)16(14,15)12-9-10-4-6-11-7-5-10/h4,11-12H,3,5-9H2,1-2H3.
What are the key properties of 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine?
4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 247.36 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[methyl(propyl)sulfamoyl]amino]methyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 120721245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).