N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide

C13H25N3O2S — CID 106004507

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)NC1CCN2CCCCC12
InChIInChI=1S/C13H25N3O2S/c17-19(18,10-7-14-11-4-5-11)15-12-6-9-16-8-2-1-3-13(12)16/h11-15H,1-10H2
InChIKeyPRPMUDHTKXMWKB-UHFFFAOYSA-N
MW287.43 g/mol
LogP0.28
Rot. Bonds6

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide (PubChem CID 106004507) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide
PubChem CID106004507
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)NC1CCN2CCCCC12
InChIInChI=1S/C13H25N3O2S/c17-19(18,10-7-14-11-4-5-11)15-12-6-9-16-8-2-1-3-13(12)16/h11-15H,1-10H2
InChIKeyPRPMUDHTKXMWKB-UHFFFAOYSA-N
XLogP0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
CID 106333825
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 63903096
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)sulfamoyl chloride
CID 114958264
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106004615
2-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)ethanesulfonamide
CID 106087839
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 114135066
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
N-cyclopentyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 83228828
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylsulfamoyl)propanoic acid
CID 54947383
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106010976
2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
CID 106062321

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide (CID 106004507) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide is O=S(=O)(CCNC1CC1)NC1CCN2CCCCC12.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide?
The InChIKey is PRPMUDHTKXMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c17-19(18,10-7-14-11-4-5-11)15-12-6-9-16-8-2-1-3-13(12)16/h11-15H,1-10H2.
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide has a molecular weight of 287.43 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide is sourced from PubChem (CID 106004507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).