5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride

C16H20FNO3S — CID 168713164

IUPAC5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESCC(c1ccc2c(c1)CCCC2)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C16H20FNO3S/c1-11(18-10-15(9-16(18)19)22(17,20)21)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,11,15H,2-5,9-10H2,1H3
InChIKeyCLOSZFGYBFPVKJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.53
Rot. Bonds3

About 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride

5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (PubChem CID 168713164) has the molecular formula C16H20FNO3S and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
PubChem CID168713164
Molecular FormulaC16H20FNO3S
Molecular Weight325.41 g/mol
Exact Mass325.11
IUPAC Name5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
SMILESCC(c1ccc2c(c1)CCCC2)N1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C16H20FNO3S/c1-11(18-10-15(9-16(18)19)22(17,20)21)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,11,15H,2-5,9-10H2,1H3
InChIKeyCLOSZFGYBFPVKJ-UHFFFAOYSA-N
XLogP2.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713150
1-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82124051
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177
1-[(1S)-1-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710964
5-oxo-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-sulfonyl chloride
CID 168710911
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
1-[1-(3,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82123538
1-[1-(3,4-dimethylphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168707654
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
1-[1-(3,4-difluorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669233

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride (CID 168713164) is 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride is CC(c1ccc2c(c1)CCCC2)N1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
The InChIKey is CLOSZFGYBFPVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3S/c1-11(18-10-15(9-16(18)19)22(17,20)21)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,11,15H,2-5,9-10H2,1H3.
What are the key properties of 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride?
5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride has a molecular weight of 325.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168713164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).