1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C9H17FN2O3S — CID 168714805

IUPAC1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c10-16(14,15)8-6-9(13)12(7-8)5-3-1-2-4-11/h8H,1-7,11H2
InChIKeyVCKNCXQZXCBPQP-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.02
Rot. Bonds6

About 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714805) has the molecular formula C9H17FN2O3S and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714805
Molecular FormulaC9H17FN2O3S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c10-16(14,15)8-6-9(13)12(7-8)5-3-1-2-4-11/h8H,1-7,11H2
InChIKeyVCKNCXQZXCBPQP-UHFFFAOYSA-N
XLogP0.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.02
H-Bond Donors ≤ 51
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 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714805) is 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride is NCCCCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is VCKNCXQZXCBPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3S/c10-16(14,15)8-6-9(13)12(7-8)5-3-1-2-4-11/h8H,1-7,11H2.
What are the key properties of 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 252.31 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).