[1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H23FN2O4S — CID 168676407

IUPAC[1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCCN1CCOCC1
InChIInChI=1S/C13H23FN2O4S/c14-21(18,19)11-12-9-13(17)16(10-12)4-2-1-3-15-5-7-20-8-6-15/h12H,1-11H2
InChIKeyMNCQAXCWOXPAKP-UHFFFAOYSA-N
MW322.40 g/mol
LogP0.25
Rot. Bonds7

About [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676407) has the molecular formula C13H23FN2O4S and a molecular weight of 322.40 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676407
Molecular FormulaC13H23FN2O4S
Molecular Weight322.40 g/mol
Exact Mass322.14
IUPAC Name[1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1CC(CS(=O)(=O)F)CN1CCCCN1CCOCC1
InChIInChI=1S/C13H23FN2O4S/c14-21(18,19)11-12-9-13(17)16(10-12)4-2-1-3-15-5-7-20-8-6-15/h12H,1-11H2
InChIKeyMNCQAXCWOXPAKP-UHFFFAOYSA-N
XLogP0.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 137949126
CID 137949126
CID 168674642
CID 168674642
CID 168674683
CID 168674683
CID 168674716
CID 168674716
CID 168674726
CID 168674726
CID 168674795
CID 168674795
CID 168674840
CID 168674840
CID 168674967
CID 168674967
CID 168675026
CID 168675026
CID 168675145
CID 168675145
CID 168675285
CID 168675285
CID 168675368
CID 168675368

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676407) is [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is O=C1CC(CS(=O)(=O)F)CN1CCCCN1CCOCC1.
What is the InChIKey of [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MNCQAXCWOXPAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O4S/c14-21(18,19)11-12-9-13(17)16(10-12)4-2-1-3-15-5-7-20-8-6-15/h12H,1-11H2.
What are the key properties of [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 322.40 g/mol, XLogP of 0.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylbutyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).