1-cyclopropylsulfonylpiperazine

C7H14N2O2S — CID 45496790

IUPAC1-cyclopropylsulfonylpiperazine
SMILESO=S(=O)(C1CC1)N1CCNCC1
InChIInChI=1S/C7H14N2O2S/c10-12(11,7-1-2-7)9-5-3-8-4-6-9/h7-8H,1-6H2
InChIKeyZLBFRRMSHIALOJ-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.62
Rot. Bonds2

About 1-cyclopropylsulfonylpiperazine

1-cyclopropylsulfonylpiperazine (PubChem CID 45496790) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpiperazine.

Molecular Properties

Compound Name1-cyclopropylsulfonylpiperazine
PubChem CID45496790
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC Name1-cyclopropylsulfonylpiperazine
SMILESO=S(=O)(C1CC1)N1CCNCC1
InChIInChI=1S/C7H14N2O2S/c10-12(11,7-1-2-7)9-5-3-8-4-6-9/h7-8H,1-6H2
InChIKeyZLBFRRMSHIALOJ-UHFFFAOYSA-N
XLogP-0.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpiperazine?
The IUPAC name of 1-cyclopropylsulfonylpiperazine (CID 45496790) is 1-cyclopropylsulfonylpiperazine.
What is the SMILES notation for 1-cyclopropylsulfonylpiperazine?
The canonical SMILES for 1-cyclopropylsulfonylpiperazine is O=S(=O)(C1CC1)N1CCNCC1.
What is the InChIKey of 1-cyclopropylsulfonylpiperazine?
The InChIKey is ZLBFRRMSHIALOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c10-12(11,7-1-2-7)9-5-3-8-4-6-9/h7-8H,1-6H2.
What are the key properties of 1-cyclopropylsulfonylpiperazine?
1-cyclopropylsulfonylpiperazine has a molecular weight of 190.27 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpiperazine is sourced from PubChem (CID 45496790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).