1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride

C9H17FN2O3S — CID 168713720

IUPAC1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCNCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-2-11-4-3-5-12-7-8(6-9(12)13)16(10,14)15/h8,11H,2-7H2,1H3
InChIKeyGPFVAIQEYJYNJQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP-0.11
Rot. Bonds6

About 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168713720) has the molecular formula C9H17FN2O3S and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168713720
Molecular FormulaC9H17FN2O3S
Molecular Weight252.31 g/mol
Exact Mass252.09
IUPAC Name1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCCNCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C9H17FN2O3S/c1-2-11-4-3-5-12-7-8(6-9(12)13)16(10,14)15/h8,11H,2-7H2,1H3
InChIKeyGPFVAIQEYJYNJQ-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
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

N-(3-amino-2,2-difluoropropyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
CID 120408189
N-(3-amino-2,2-difluoropropyl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 120408190
5-Oxopyrrolidine-3-sulfonyl fluoride
CID 131071626
N-ethyl-1-(4,4,4-trifluorobutanoyl)pyrrolidine-3-sulfonamide
CID 136519936
[1-(1-Aminopentan-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674791
[1-(3-Aminopentyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674792
[1-(3-Amino-2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675139
[1-[3-(Dimethylamino)-2,2-dimethylpropyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675140
[5-Oxo-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675168
[1-(3-Acetamidopropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675213
[1-(2-Acetamidoethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675214
[1-[3-(Octylamino)propyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675264

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168713720) is 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride is CCNCCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is GPFVAIQEYJYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O3S/c1-2-11-4-3-5-12-7-8(6-9(12)13)16(10,14)15/h8,11H,2-7H2,1H3.
What are the key properties of 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 252.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).