4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one

C9H15N3O4S — CID 71785545

IUPAC4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one
SMILESCS(=O)(=O)N1CC(C(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C9H15N3O4S/c1-17(15,16)12-4-7(5-12)9(14)11-3-2-10-8(13)6-11/h7H,2-6H2,1H3,(H,10,13)
InChIKeyCTEUWWVFDZPVDJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP-2.16
Rot. Bonds2

About 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one

4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one (PubChem CID 71785545) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one
PubChem CID71785545
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one
SMILESCS(=O)(=O)N1CC(C(=O)N2CCNC(=O)C2)C1
InChIInChI=1S/C9H15N3O4S/c1-17(15,16)12-4-7(5-12)9(14)11-3-2-10-8(13)6-11/h7H,2-6H2,1H3,(H,10,13)
InChIKeyCTEUWWVFDZPVDJ-UHFFFAOYSA-N
XLogP-2.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one (CID 71785545) is 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one is CS(=O)(=O)N1CC(C(=O)N2CCNC(=O)C2)C1.
What is the InChIKey of 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one?
The InChIKey is CTEUWWVFDZPVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-17(15,16)12-4-7(5-12)9(14)11-3-2-10-8(13)6-11/h7H,2-6H2,1H3,(H,10,13).
What are the key properties of 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one?
4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one has a molecular weight of 261.30 g/mol, XLogP of -2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylazetidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 71785545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).