[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

C13H19ClN2O4S — CID 168672586

IUPAC[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H19ClN2O4S/c14-21(19,20)8-10-4-12(17)15(6-10)5-9-3-13(18)16(7-9)11-1-2-11/h9-11H,1-8H2
InChIKeyDDWYHIBOLKQYIU-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.41
Rot. Bonds5

About [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride

[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672586) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672586
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C13H19ClN2O4S/c14-21(19,20)8-10-4-12(17)15(6-10)5-9-3-13(18)16(7-9)11-1-2-11/h9-11H,1-8H2
InChIKeyDDWYHIBOLKQYIU-UHFFFAOYSA-N
XLogP0.41
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(3-methoxypropyl)piperidin-4-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673026
[1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672934
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
[5-oxo-1-(4-propan-2-ylcyclohexyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680639
[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-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673880
[1-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673856

Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride (CID 168672586) is [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1CC1CC(=O)N(C2CC2)C1.
What is the InChIKey of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is DDWYHIBOLKQYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c14-21(19,20)8-10-4-12(17)15(6-10)5-9-3-13(18)16(7-9)11-1-2-11/h9-11H,1-8H2.
What are the key properties of [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride?
[1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 334.83 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).