1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C10H21FN4O3S — CID 168714846

IUPAC1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCNCCNCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H21FN4O3S/c11-19(17,18)9-7-10(16)15(8-9)6-5-14-4-3-13-2-1-12/h9,13-14H,1-8,12H2
InChIKeyAODNGEQRYLKJCM-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.98
Rot. Bonds9

About 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714846) has the molecular formula C10H21FN4O3S and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714846
Molecular FormulaC10H21FN4O3S
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCNCCNCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H21FN4O3S/c11-19(17,18)9-7-10(16)15(8-9)6-5-14-4-3-13-2-1-12/h9,13-14H,1-8,12H2
InChIKeyAODNGEQRYLKJCM-UHFFFAOYSA-N
XLogP-1.98
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714846) is 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is NCCNCCNCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is AODNGEQRYLKJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN4O3S/c11-19(17,18)9-7-10(16)15(8-9)6-5-14-4-3-13-2-1-12/h9,13-14H,1-8,12H2.
What are the key properties of 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 296.37 g/mol, XLogP of -1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).