1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H17FN2O3S — CID 168713357

IUPAC1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C1CCCCNC1
InChIInChI=1S/C10H17FN2O3S/c11-17(15,16)9-5-10(14)13(7-9)8-3-1-2-4-12-6-8/h8-9,12H,1-7H2
InChIKeyHVTYZYYLOGUDSE-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.03
Rot. Bonds2

About 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713357) has the molecular formula C10H17FN2O3S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713357
Molecular FormulaC10H17FN2O3S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C1CCCCNC1
InChIInChI=1S/C10H17FN2O3S/c11-17(15,16)9-5-10(14)13(7-9)8-3-1-2-4-12-6-8/h8-9,12H,1-7H2
InChIKeyHVTYZYYLOGUDSE-UHFFFAOYSA-N
XLogP0.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713357) is 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1C1CCCCNC1.
What is the InChIKey of 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is HVTYZYYLOGUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3S/c11-17(15,16)9-5-10(14)13(7-9)8-3-1-2-4-12-6-8/h8-9,12H,1-7H2.
What are the key properties of 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 264.32 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-3-yl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).