[1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C10H19FN2O3S — CID 168675316

IUPAC[1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCNCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-2-12-4-3-5-13-7-9(6-10(13)14)8-17(11,15)16/h9,12H,2-8H2,1H3
InChIKeyVSUVLBNPPUBBMW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.13
Rot. Bonds7

About [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675316) has the molecular formula C10H19FN2O3S and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675316
Molecular FormulaC10H19FN2O3S
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name[1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCNCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c1-2-12-4-3-5-13-7-9(6-10(13)14)8-17(11,15)16/h9,12H,2-8H2,1H3
InChIKeyVSUVLBNPPUBBMW-UHFFFAOYSA-N
XLogP0.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.13
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-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675316) is [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCNCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is VSUVLBNPPUBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3S/c1-2-12-4-3-5-13-7-9(6-10(13)14)8-17(11,15)16/h9,12H,2-8H2,1H3.
What are the key properties of [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 266.34 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).