5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride

C13H17ClN4O3S — CID 168712009

IUPAC5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17ClN4O3S/c14-22(20,21)11-8-12(19)18(9-11)10-2-6-17(7-3-10)13-15-4-1-5-16-13/h1,4-5,10-11H,2-3,6-9H2
InChIKeySITQJOUFHQZSRG-UHFFFAOYSA-N
MW344.82 g/mol
LogP0.61
Rot. Bonds3

About 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride

5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride (PubChem CID 168712009) has the molecular formula C13H17ClN4O3S and a molecular weight of 344.82 g/mol. Its IUPAC name is 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
PubChem CID168712009
Molecular FormulaC13H17ClN4O3S
Molecular Weight344.82 g/mol
Exact Mass344.07
IUPAC Name5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17ClN4O3S/c14-22(20,21)11-8-12(19)18(9-11)10-2-6-17(7-3-10)13-15-4-1-5-16-13/h1,4-5,10-11H,2-3,6-9H2
InChIKeySITQJOUFHQZSRG-UHFFFAOYSA-N
XLogP0.61
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-oxo-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidine-3-sulfonyl chloride
CID 168710977
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
[5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168681810
1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711327
1-(oxan-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712029
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711290
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674576
4-(aminomethyl)-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-2-one
CID 168658935
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712929
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride (CID 168712009) is 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1C1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride?
The InChIKey is SITQJOUFHQZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3S/c14-22(20,21)11-8-12(19)18(9-11)10-2-6-17(7-3-10)13-15-4-1-5-16-13/h1,4-5,10-11H,2-3,6-9H2.
What are the key properties of 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride?
5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride has a molecular weight of 344.82 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).