[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C14H27FN2O3S — CID 168674817

IUPAC[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCN(CC)CCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H27FN2O3S/c1-4-16(5-2)8-6-7-12(3)17-10-13(9-14(17)18)11-21(15,19)20/h12-13H,4-11H2,1-3H3
InChIKeyGASBCBYMWBJDLM-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.64
Rot. Bonds9

About [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674817) has the molecular formula C14H27FN2O3S and a molecular weight of 322.45 g/mol. Its IUPAC name is [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674817
Molecular FormulaC14H27FN2O3S
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCN(CC)CCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H27FN2O3S/c1-4-16(5-2)8-6-7-12(3)17-10-13(9-14(17)18)11-21(15,19)20/h12-13H,4-11H2,1-3H3
InChIKeyGASBCBYMWBJDLM-UHFFFAOYSA-N
XLogP1.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674817) is [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCN(CC)CCCC(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is GASBCBYMWBJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2O3S/c1-4-16(5-2)8-6-7-12(3)17-10-13(9-14(17)18)11-21(15,19)20/h12-13H,4-11H2,1-3H3.
What are the key properties of [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 322.45 g/mol, XLogP of 1.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).