2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide

C11H25N3O2S — CID 54972236

IUPAC2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCC1CCN(CC)C1
InChIInChI=1S/C11H25N3O2S/c1-3-12-6-8-17(15,16)13-9-11-5-7-14(4-2)10-11/h11-13H,3-10H2,1-2H3
InChIKeyXAJPBXDBDIWCOZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.14
Rot. Bonds8

About 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide

2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide (PubChem CID 54972236) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide
PubChem CID54972236
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCC1CCN(CC)C1
InChIInChI=1S/C11H25N3O2S/c1-3-12-6-8-17(15,16)13-9-11-5-7-14(4-2)10-11/h11-13H,3-10H2,1-2H3
InChIKeyXAJPBXDBDIWCOZ-UHFFFAOYSA-N
XLogP-0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.14
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-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide (CID 54972236) is 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide is CCNCCS(=O)(=O)NCC1CCN(CC)C1.
What is the InChIKey of 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide?
The InChIKey is XAJPBXDBDIWCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-12-6-8-17(15,16)13-9-11-5-7-14(4-2)10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide?
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 54972236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).