1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H17ClN2O3S — CID 168711327

IUPAC1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCN1CCC(N2CC(S(=O)(=O)Cl)CC2=O)CC1
InChIInChI=1S/C10H17ClN2O3S/c1-12-4-2-8(3-5-12)13-7-9(6-10(13)14)17(11,15)16/h8-9H,2-7H2,1H3
InChIKeyYSJVOYQVDXEKAR-UHFFFAOYSA-N
MW280.78 g/mol
LogP0.25
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711327) has the molecular formula C10H17ClN2O3S and a molecular weight of 280.78 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711327
Molecular FormulaC10H17ClN2O3S
Molecular Weight280.78 g/mol
Exact Mass280.06
IUPAC Name1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCN1CCC(N2CC(S(=O)(=O)Cl)CC2=O)CC1
InChIInChI=1S/C10H17ClN2O3S/c1-12-4-2-8(3-5-12)13-7-9(6-10(13)14)17(11,15)16/h8-9H,2-7H2,1H3
InChIKeyYSJVOYQVDXEKAR-UHFFFAOYSA-N
XLogP0.25
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712029
5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
CID 168712009
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
1-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710836
tert-butyl 3-(4-chlorosulfonyl-2-oxopyrrolidin-1-yl)azetidine-1-carboxylate
CID 168711018
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
CID 61465092
5-oxo-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidine-3-sulfonyl chloride
CID 168710977
1,1-dimethyl-3-[1-(1-methylpiperidin-4-yl)-5-oxopyrrolidin-3-yl]urea
CID 167933678
(4S)-1-cycloheptyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidin-2-one
CID 29151861
5-oxo-1-piperidin-4-ylpyrrolidine-3-sulfonamide
CID 168718088
ethyl 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168713733
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711327) is 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is CN1CCC(N2CC(S(=O)(=O)Cl)CC2=O)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is YSJVOYQVDXEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O3S/c1-12-4-2-8(3-5-12)13-7-9(6-10(13)14)17(11,15)16/h8-9H,2-7H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 280.78 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).