4-propan-2-ylpiperazine-1-sulfinate

C7H15N2O2S- — CID 57185415

IUPAC4-propan-2-ylpiperazine-1-sulfinate
SMILESCC(C)N1CCN(S(=O)[O-])CC1
InChIInChI=1S/C7H16N2O2S/c1-7(2)8-3-5-9(6-4-8)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyFSQRKQWXXTUDKK-UHFFFAOYSA-M
MW191.28 g/mol
LogP-0.19
Rot. Bonds2

About 4-propan-2-ylpiperazine-1-sulfinate

4-propan-2-ylpiperazine-1-sulfinate (PubChem CID 57185415) has the molecular formula C7H15N2O2S- and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-propan-2-ylpiperazine-1-sulfinate.

Molecular Properties

Compound Name4-propan-2-ylpiperazine-1-sulfinate
PubChem CID57185415
Molecular FormulaC7H15N2O2S-
Molecular Weight191.28 g/mol
Exact Mass191.09
IUPAC Name4-propan-2-ylpiperazine-1-sulfinate
SMILESCC(C)N1CCN(S(=O)[O-])CC1
InChIInChI=1S/C7H16N2O2S/c1-7(2)8-3-5-9(6-4-8)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1
InChIKeyFSQRKQWXXTUDKK-UHFFFAOYSA-M
XLogP-0.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperazine-1-sulfinate?
The IUPAC name of 4-propan-2-ylpiperazine-1-sulfinate (CID 57185415) is 4-propan-2-ylpiperazine-1-sulfinate.
What is the SMILES notation for 4-propan-2-ylpiperazine-1-sulfinate?
The canonical SMILES for 4-propan-2-ylpiperazine-1-sulfinate is CC(C)N1CCN(S(=O)[O-])CC1.
What is the InChIKey of 4-propan-2-ylpiperazine-1-sulfinate?
The InChIKey is FSQRKQWXXTUDKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N2O2S/c1-7(2)8-3-5-9(6-4-8)12(10)11/h7H,3-6H2,1-2H3,(H,10,11)/p-1.
What are the key properties of 4-propan-2-ylpiperazine-1-sulfinate?
4-propan-2-ylpiperazine-1-sulfinate has a molecular weight of 191.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperazine-1-sulfinate is sourced from PubChem (CID 57185415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).