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

C9H17FN2O3S — CID 168713196

IUPAC1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCC(N)CCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-2-7(11)3-4-12-6-8(5-9(12)13)16(10,14)15/h7-8H,2-6,11H2,1H3
InChIKeyXATAAHWMTKOBNK-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.01
Rot. Bonds5

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

1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713196) has the molecular formula C9H17FN2O3S and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713196
Molecular FormulaC9H17FN2O3S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCC(N)CCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-2-7(11)3-4-12-6-8(5-9(12)13)16(10,14)15/h7-8H,2-6,11H2,1H3
InChIKeyXATAAHWMTKOBNK-UHFFFAOYSA-N
XLogP0.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713196) is 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride is CCC(N)CCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is XATAAHWMTKOBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3S/c1-2-7(11)3-4-12-6-8(5-9(12)13)16(10,14)15/h7-8H,2-6,11H2,1H3.
What are the key properties of 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 252.31 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopentyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).