[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C12H22ClN3O3S — CID 168672934

IUPAC[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCN1CCN(CCN2CC(CS(=O)(=O)Cl)CC2=O)CC1
InChIInChI=1S/C12H22ClN3O3S/c1-14-2-4-15(5-3-14)6-7-16-9-11(8-12(16)17)10-20(13,18)19/h11H,2-10H2,1H3
InChIKeyOQDNBTPKQMRTBQ-UHFFFAOYSA-N
MW323.85 g/mol
LogP-0.35
Rot. Bonds5

About [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672934) has the molecular formula C12H22ClN3O3S and a molecular weight of 323.85 g/mol. Its IUPAC name is [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672934
Molecular FormulaC12H22ClN3O3S
Molecular Weight323.85 g/mol
Exact Mass323.11
IUPAC Name[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESCN1CCN(CCN2CC(CS(=O)(=O)Cl)CC2=O)CC1
InChIInChI=1S/C12H22ClN3O3S/c1-14-2-4-15(5-3-14)6-7-16-9-11(8-12(16)17)10-20(13,18)19/h11H,2-10H2,1H3
InChIKeyOQDNBTPKQMRTBQ-UHFFFAOYSA-N
XLogP-0.35
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673651
[1-[2-(dipropylamino)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672770
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
[1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673680
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
[1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673561
[1-[4-(N-methylanilino)butyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672929
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673657

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168672934) is [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is CN1CCN(CCN2CC(CS(=O)(=O)Cl)CC2=O)CC1.
What is the InChIKey of [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is OQDNBTPKQMRTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O3S/c1-14-2-4-15(5-3-14)6-7-16-9-11(8-12(16)17)10-20(13,18)19/h11H,2-10H2,1H3.
What are the key properties of [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 323.85 g/mol, XLogP of -0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).