1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride

C13H25ClN2O3S — CID 168710947

IUPAC1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCN(CC)CCCC(C)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C13H25ClN2O3S/c1-4-15(5-2)8-6-7-11(3)16-10-12(9-13(16)17)20(14,18)19/h11-12H,4-10H2,1-3H3
InChIKeyCFUZFSUAZKDKLT-UHFFFAOYSA-N
MW324.87 g/mol
LogP1.67
Rot. Bonds8

About 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride

1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168710947) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168710947
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCN(CC)CCCC(C)N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C13H25ClN2O3S/c1-4-15(5-2)8-6-7-11(3)16-10-12(9-13(16)17)20(14,18)19/h11-12H,4-10H2,1-3H3
InChIKeyCFUZFSUAZKDKLT-UHFFFAOYSA-N
XLogP1.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
CID 168683630
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154
4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
CID 168506635
S-[[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665979
4-(bromomethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
CID 168503315
5-oxo-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710923
1-[(1S)-1-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710964
5-oxo-1-(1-thiophen-2-ylethyl)pyrrolidine-3-sulfonyl chloride
CID 168710917
3-[5-(diethylamino)pentan-2-yl]-2-propan-2-ylimidazolidin-4-one
CID 83238825
1-[1-(2-methylphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710901
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168710947) is 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride is CCN(CC)CCCC(C)N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is CFUZFSUAZKDKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O3S/c1-4-15(5-2)8-6-7-11(3)16-10-12(9-13(16)17)20(14,18)19/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 324.87 g/mol, XLogP of 1.67, 8 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-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168710947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).