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

C9H17FN2O3S — CID 168675483

IUPAC[1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCNCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-11-3-2-4-12-6-8(5-9(12)13)7-16(10,14)15/h8,11H,2-7H2,1H3
InChIKeyQFJYWRXHQBQKOP-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.26
Rot. Bonds6

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

[1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675483) has the molecular formula C9H17FN2O3S and a molecular weight of 252.31 g/mol. Its IUPAC name is [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675483
Molecular FormulaC9H17FN2O3S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name[1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCNCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-11-3-2-4-12-6-8(5-9(12)13)7-16(10,14)15/h8,11H,2-7H2,1H3
InChIKeyQFJYWRXHQBQKOP-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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Frequently Asked Questions

What is the IUPAC name of [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675483) is [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CNCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is QFJYWRXHQBQKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3S/c1-11-3-2-4-12-6-8(5-9(12)13)7-16(10,14)15/h8,11H,2-7H2,1H3.
What are the key properties of [1-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[3-(methylamino)propyl]-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-[3-(methylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).