1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride

C11H18ClNO4S — CID 168711427

IUPAC1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOCC1(CN2CC(S(=O)(=O)Cl)CC2=O)CCC1
InChIInChI=1S/C11H18ClNO4S/c1-17-8-11(3-2-4-11)7-13-6-9(5-10(13)14)18(12,15)16/h9H,2-8H2,1H3
InChIKeyRVSZXCUHONKKOY-UHFFFAOYSA-N
MW295.79 g/mol
LogP0.97
Rot. Bonds5

About 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride

1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711427) has the molecular formula C11H18ClNO4S and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711427
Molecular FormulaC11H18ClNO4S
Molecular Weight295.79 g/mol
Exact Mass295.06
IUPAC Name1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCOCC1(CN2CC(S(=O)(=O)Cl)CC2=O)CCC1
InChIInChI=1S/C11H18ClNO4S/c1-17-8-11(3-2-4-11)7-13-6-9(5-10(13)14)18(12,15)16/h9H,2-8H2,1H3
InChIKeyRVSZXCUHONKKOY-UHFFFAOYSA-N
XLogP0.97
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
1-[[1-(2-methylpropyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168716888
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712043
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091
[1-(methoxymethyl)cyclopentyl]methanesulfonyl chloride
CID 65003085
1-[2-(2-chlorophenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712089

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711427) is 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride is COCC1(CN2CC(S(=O)(=O)Cl)CC2=O)CCC1.
What is the InChIKey of 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is RVSZXCUHONKKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO4S/c1-17-8-11(3-2-4-11)7-13-6-9(5-10(13)14)18(12,15)16/h9H,2-8H2,1H3.
What are the key properties of 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride?
1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 295.79 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).