[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

C16H22N2O4S — CID 6469994

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h4-7,15H,2-3,8-12H2,1H3
InChIKeyRLYBQQDVUINODS-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.01
Rot. Bonds3

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 6469994) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID6469994
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C16H22N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h4-7,15H,2-3,8-12H2,1H3
InChIKeyRLYBQQDVUINODS-UHFFFAOYSA-N
XLogP1.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone (CID 6469994) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is RLYBQQDVUINODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-13-4-6-14(7-5-13)23(20,21)18-10-8-17(9-11-18)16(19)15-3-2-12-22-15/h4-7,15H,2-3,8-12H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 338.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 6469994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).