[1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H17FN2O3S — CID 168675317

IUPAC[1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCNCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-2-11-3-4-12-6-8(5-9(12)13)7-16(10,14)15/h8,11H,2-7H2,1H3
InChIKeyMWJMHHJFCCDJLD-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.26
Rot. Bonds6

About [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675317) has the molecular formula C9H17FN2O3S and a molecular weight of 252.31 g/mol. Its IUPAC name is [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675317
Molecular FormulaC9H17FN2O3S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name[1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCCNCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-2-11-3-4-12-6-8(5-9(12)13)7-16(10,14)15/h8,11H,2-7H2,1H3
InChIKeyMWJMHHJFCCDJLD-UHFFFAOYSA-N
XLogP-0.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.26
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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Related Compounds

1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
2-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-propylacetamide
CID 138006531
[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
[(3S,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452565
[(3R,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452567
[(3S,4S)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452569
(3,4-Dimethyl-2-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 131492641
2-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-propylacetamide
CID 137976656
4,4-difluoro-2-methyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butane-1-sulfonamide
CID 139017735
2-[(3S,4S)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 146124782
2-[(3R,4R)-3-(dimethylsulfamoyl)-4-(trifluoromethyl)pyrrolidin-1-yl]-N-ethylacetamide
CID 146143535
[1-(2-Aminocyclohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674649

Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675317) is [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CCNCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is MWJMHHJFCCDJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3S/c1-2-11-3-4-12-6-8(5-9(12)13)7-16(10,14)15/h8,11H,2-7H2,1H3.
What are the key properties of [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 252.31 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(ethylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).