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

C16H21ClN2O3S — CID 168712027

IUPAC1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c17-23(21,22)15-10-16(20)19(12-15)14-6-8-18(9-7-14)11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyQQXLUHHHMWBRNL-UHFFFAOYSA-N
MW356.88 g/mol
LogP1.82
Rot. Bonds4

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

1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168712027) has the molecular formula C16H21ClN2O3S and a molecular weight of 356.88 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168712027
Molecular FormulaC16H21ClN2O3S
Molecular Weight356.88 g/mol
Exact Mass356.10
IUPAC Name1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21ClN2O3S/c17-23(21,22)15-10-16(20)19(12-15)14-6-8-18(9-7-14)11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2
InChIKeyQQXLUHHHMWBRNL-UHFFFAOYSA-N
XLogP1.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711327
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661797
1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712029
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
CID 168712009
5-oxo-1-[4-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712798
5-oxo-1-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712710
4-(1-benzylpiperidin-4-yl)morpholin-3-one;ethane
CID 145162351
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168712027) is 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is QQXLUHHHMWBRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3S/c17-23(21,22)15-10-16(20)19(12-15)14-6-8-18(9-7-14)11-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 356.88 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).