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

C10H19FN2O4S — CID 168674730

IUPAC[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(O)CNCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O4S/c1-8(14)5-12-2-3-13-6-9(4-10(13)15)7-18(11,16)17/h8-9,12,14H,2-7H2,1H3
InChIKeyOWPGIOMNMYRCSW-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.90
Rot. Bonds7

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

[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674730) has the molecular formula C10H19FN2O4S and a molecular weight of 282.34 g/mol. Its IUPAC name is [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674730
Molecular FormulaC10H19FN2O4S
Molecular Weight282.34 g/mol
Exact Mass282.10
IUPAC Name[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(O)CNCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O4S/c1-8(14)5-12-2-3-13-6-9(4-10(13)15)7-18(11,16)17/h8-9,12,14H,2-7H2,1H3
InChIKeyOWPGIOMNMYRCSW-UHFFFAOYSA-N
XLogP-0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676444
1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690171
[1-[2-(benzylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676446
tert-butyl N-[3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-2-methylpropyl]carbamate
CID 168674722
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
[5-oxo-1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676412
[1-[2-(tert-butylamino)-2-oxoethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675045
1-[2-(2-hydroxypropylamino)ethyl]-4-methylpiperidine-2,6-dione
CID 104594518
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
[1-(2-ethylhexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674809
[1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675423
[1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676383

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674730) is [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(O)CNCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is OWPGIOMNMYRCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O4S/c1-8(14)5-12-2-3-13-6-9(4-10(13)15)7-18(11,16)17/h8-9,12,14H,2-7H2,1H3.
What are the key properties of [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 282.34 g/mol, XLogP of -0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-hydroxypropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).