2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide

C11H23N3O2S — CID 106333825

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCN2CCCCC12
InChIInChI=1S/C11H23N3O2S/c1-12-17(15,16)9-6-13-10-5-8-14-7-3-2-4-11(10)14/h10-13H,2-9H2,1H3
InChIKeyFGCHCFAMSUOGEG-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.25
Rot. Bonds5

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide (PubChem CID 106333825) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
PubChem CID106333825
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNC1CCN2CCCCC12
InChIInChI=1S/C11H23N3O2S/c1-12-17(15,16)9-6-13-10-5-8-14-7-3-2-4-11(10)14/h10-13H,2-9H2,1H3
InChIKeyFGCHCFAMSUOGEG-UHFFFAOYSA-N
XLogP-0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-(cyclopropylamino)ethanesulfonamide
CID 106004507
N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]methanesulfonamide
CID 82853111
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 114515203
N-[3-(2-methylpiperidin-1-yl)propyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853529
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]-1,1-dimethylurea
CID 83117106
N-(3-pyrrolidin-1-ylpropyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 54967685
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
CID 63903096
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62311545
N-(5-methylhexyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853657
methyl N-[2-[[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]carbamate
CID 144745494
N-ethyl-2-pyrrolidin-1-ylcyclododecan-1-amine
CID 63466183

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide (CID 106333825) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNC1CCN2CCCCC12.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide?
The InChIKey is FGCHCFAMSUOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-12-17(15,16)9-6-13-10-5-8-14-7-3-2-4-11(10)14/h10-13H,2-9H2,1H3.
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-N-methylethanesulfonamide is sourced from PubChem (CID 106333825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).