cyclopropylsulfonyl piperazine-1-carboxylate

C8H14N2O4S — CID 118918463

IUPACcyclopropylsulfonyl piperazine-1-carboxylate
SMILESO=C(OS(=O)(=O)C1CC1)N1CCNCC1
InChIInChI=1S/C8H14N2O4S/c11-8(10-5-3-9-4-6-10)14-15(12,13)7-1-2-7/h7,9H,1-6H2
InChIKeyDQZFPASQLDMJEK-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.48
Rot. Bonds2

About cyclopropylsulfonyl piperazine-1-carboxylate

cyclopropylsulfonyl piperazine-1-carboxylate (PubChem CID 118918463) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is cyclopropylsulfonyl piperazine-1-carboxylate.

Molecular Properties

Compound Namecyclopropylsulfonyl piperazine-1-carboxylate
PubChem CID118918463
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Namecyclopropylsulfonyl piperazine-1-carboxylate
SMILESO=C(OS(=O)(=O)C1CC1)N1CCNCC1
InChIInChI=1S/C8H14N2O4S/c11-8(10-5-3-9-4-6-10)14-15(12,13)7-1-2-7/h7,9H,1-6H2
InChIKeyDQZFPASQLDMJEK-UHFFFAOYSA-N
XLogP-0.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropylsulfonyl piperazine-1-carboxylate?
The IUPAC name of cyclopropylsulfonyl piperazine-1-carboxylate (CID 118918463) is cyclopropylsulfonyl piperazine-1-carboxylate.
What is the SMILES notation for cyclopropylsulfonyl piperazine-1-carboxylate?
The canonical SMILES for cyclopropylsulfonyl piperazine-1-carboxylate is O=C(OS(=O)(=O)C1CC1)N1CCNCC1.
What is the InChIKey of cyclopropylsulfonyl piperazine-1-carboxylate?
The InChIKey is DQZFPASQLDMJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c11-8(10-5-3-9-4-6-10)14-15(12,13)7-1-2-7/h7,9H,1-6H2.
What are the key properties of cyclopropylsulfonyl piperazine-1-carboxylate?
cyclopropylsulfonyl piperazine-1-carboxylate has a molecular weight of 234.28 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylsulfonyl piperazine-1-carboxylate is sourced from PubChem (CID 118918463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).