2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide

C11H23N3O2S — CID 54973206

IUPAC2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H23N3O2S/c1-2-12-6-9-17(15,16)13-10-5-8-14-7-3-4-11(10)14/h10-13H,2-9H2,1H3
InChIKeyYWDZTGBFVHVDKZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP-0.25
Rot. Bonds6

About 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide

2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide (PubChem CID 54973206) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
PubChem CID54973206
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NC1CCN2CCCC12
InChIInChI=1S/C11H23N3O2S/c1-2-12-6-9-17(15,16)13-10-5-8-14-7-3-4-11(10)14/h10-13H,2-9H2,1H3
InChIKeyYWDZTGBFVHVDKZ-UHFFFAOYSA-N
XLogP-0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide (CID 54973206) is 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide is CCNCCS(=O)(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide?
The InChIKey is YWDZTGBFVHVDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-2-12-6-9-17(15,16)13-10-5-8-14-7-3-4-11(10)14/h10-13H,2-9H2,1H3.
What are the key properties of 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide?
2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide has a molecular weight of 261.39 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanesulfonamide is sourced from PubChem (CID 54973206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).