oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine

C12H24N2O6S — CID 2900584

IUPACoxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C(C)C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C10H22N2O2S.C2H2O4/c1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3;3-1(4)2(5)6/h10H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyVPZKRWIETPDSDO-UHFFFAOYSA-N
MW324.40 g/mol
LogP-0.09
Rot. Bonds4

About oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine

oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine (PubChem CID 2900584) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine.

Molecular Properties

Compound Nameoxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine
PubChem CID2900584
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC Nameoxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine
SMILESCCCS(=O)(=O)N1CCN(C(C)C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C10H22N2O2S.C2H2O4/c1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3;3-1(4)2(5)6/h10H,4-9H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyVPZKRWIETPDSDO-UHFFFAOYSA-N
XLogP-0.09
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine?
The IUPAC name of oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine (CID 2900584) is oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine.
What is the SMILES notation for oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine?
The canonical SMILES for oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine is CCCS(=O)(=O)N1CCN(C(C)C)CC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine?
The InChIKey is VPZKRWIETPDSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S.C2H2O4/c1-4-9-15(13,14)12-7-5-11(6-8-12)10(2)3;3-1(4)2(5)6/h10H,4-9H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine?
oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine has a molecular weight of 324.40 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-propan-2-yl-4-propylsulfonylpiperazine is sourced from PubChem (CID 2900584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).