4-(3-chloropropylsulfonyl)piperazin-2-one

C7H13ClN2O3S — CID 43653949

IUPAC4-(3-chloropropylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)CCCCl)CCN1
InChIInChI=1S/C7H13ClN2O3S/c8-2-1-5-14(12,13)10-4-3-9-7(11)6-10/h1-6H2,(H,9,11)
InChIKeyPDDPNNOKXKRPNY-UHFFFAOYSA-N
MW240.71 g/mol
LogP-0.62
Rot. Bonds4

About 4-(3-chloropropylsulfonyl)piperazin-2-one

4-(3-chloropropylsulfonyl)piperazin-2-one (PubChem CID 43653949) has the molecular formula C7H13ClN2O3S and a molecular weight of 240.71 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)piperazin-2-one
PubChem CID43653949
Molecular FormulaC7H13ClN2O3S
Molecular Weight240.71 g/mol
Exact Mass240.03
IUPAC Name4-(3-chloropropylsulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)CCCCl)CCN1
InChIInChI=1S/C7H13ClN2O3S/c8-2-1-5-14(12,13)10-4-3-9-7(11)6-10/h1-6H2,(H,9,11)
InChIKeyPDDPNNOKXKRPNY-UHFFFAOYSA-N
XLogP-0.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropylsulfonyl)piperazin-2-one?
The IUPAC name of 4-(3-chloropropylsulfonyl)piperazin-2-one (CID 43653949) is 4-(3-chloropropylsulfonyl)piperazin-2-one.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)piperazin-2-one?
The canonical SMILES for 4-(3-chloropropylsulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)CCCCl)CCN1.
What is the InChIKey of 4-(3-chloropropylsulfonyl)piperazin-2-one?
The InChIKey is PDDPNNOKXKRPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O3S/c8-2-1-5-14(12,13)10-4-3-9-7(11)6-10/h1-6H2,(H,9,11).
What are the key properties of 4-(3-chloropropylsulfonyl)piperazin-2-one?
4-(3-chloropropylsulfonyl)piperazin-2-one has a molecular weight of 240.71 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropylsulfonyl)piperazin-2-one is sourced from PubChem (CID 43653949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).