(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride

C8H14ClNO3S — CID 84701616

IUPAC(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
SMILESCC(C)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C8H14ClNO3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3
InChIKeyPFZYEHIHFIIKMR-UHFFFAOYSA-N
MW239.72 g/mol
LogP0.81
Rot. Bonds3

About (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride

(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride (PubChem CID 84701616) has the molecular formula C8H14ClNO3S and a molecular weight of 239.72 g/mol. Its IUPAC name is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
PubChem CID84701616
Molecular FormulaC8H14ClNO3S
Molecular Weight239.72 g/mol
Exact Mass239.04
IUPAC Name(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
SMILESCC(C)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C8H14ClNO3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3
InChIKeyPFZYEHIHFIIKMR-UHFFFAOYSA-N
XLogP0.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl fluoride
CID 168675162
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
[1-(2-methyl-1-pyridin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672467
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672520
[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672548
[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672570
[5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168672716
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
CID 168674784
[1-(2-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672749

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
The IUPAC name of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride (CID 84701616) is (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
The canonical SMILES for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride is CC(C)N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
The InChIKey is PFZYEHIHFIIKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO3S/c1-6(2)10-4-7(3-8(10)11)5-14(9,12)13/h6-7H,3-5H2,1-2H3.
What are the key properties of (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride has a molecular weight of 239.72 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 84701616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).