1-(3-fluoropropylsulfonyl)-3-methylpiperazine

C8H17FN2O2S — CID 119981833

IUPAC1-(3-fluoropropylsulfonyl)-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)CCCF)CCN1
InChIInChI=1S/C8H17FN2O2S/c1-8-7-11(5-4-10-8)14(12,13)6-2-3-9/h8,10H,2-7H2,1H3
InChIKeyZHURWJJLDYJUBF-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.03
Rot. Bonds4

About 1-(3-fluoropropylsulfonyl)-3-methylpiperazine

1-(3-fluoropropylsulfonyl)-3-methylpiperazine (PubChem CID 119981833) has the molecular formula C8H17FN2O2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfonyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(3-fluoropropylsulfonyl)-3-methylpiperazine
PubChem CID119981833
Molecular FormulaC8H17FN2O2S
Molecular Weight224.30 g/mol
Exact Mass224.10
IUPAC Name1-(3-fluoropropylsulfonyl)-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)CCCF)CCN1
InChIInChI=1S/C8H17FN2O2S/c1-8-7-11(5-4-10-8)14(12,13)6-2-3-9/h8,10H,2-7H2,1H3
InChIKeyZHURWJJLDYJUBF-UHFFFAOYSA-N
XLogP-0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfonyl)-3-methylpiperazine?
The IUPAC name of 1-(3-fluoropropylsulfonyl)-3-methylpiperazine (CID 119981833) is 1-(3-fluoropropylsulfonyl)-3-methylpiperazine.
What is the SMILES notation for 1-(3-fluoropropylsulfonyl)-3-methylpiperazine?
The canonical SMILES for 1-(3-fluoropropylsulfonyl)-3-methylpiperazine is CC1CN(S(=O)(=O)CCCF)CCN1.
What is the InChIKey of 1-(3-fluoropropylsulfonyl)-3-methylpiperazine?
The InChIKey is ZHURWJJLDYJUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O2S/c1-8-7-11(5-4-10-8)14(12,13)6-2-3-9/h8,10H,2-7H2,1H3.
What are the key properties of 1-(3-fluoropropylsulfonyl)-3-methylpiperazine?
1-(3-fluoropropylsulfonyl)-3-methylpiperazine has a molecular weight of 224.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfonyl)-3-methylpiperazine is sourced from PubChem (CID 119981833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).