piperazin-2-ylmethylsulfonyl formate

C6H12N2O4S — CID 174538290

IUPACpiperazin-2-ylmethylsulfonyl formate
SMILESO=COS(=O)(=O)CC1CNCCN1
InChIInChI=1S/C6H12N2O4S/c9-5-12-13(10,11)4-6-3-7-1-2-8-6/h5-8H,1-4H2
InChIKeyDRJBPNYPEGCZTA-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.95
Rot. Bonds4

About piperazin-2-ylmethylsulfonyl formate

piperazin-2-ylmethylsulfonyl formate (PubChem CID 174538290) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is piperazin-2-ylmethylsulfonyl formate.

Molecular Properties

Compound Namepiperazin-2-ylmethylsulfonyl formate
PubChem CID174538290
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Namepiperazin-2-ylmethylsulfonyl formate
SMILESO=COS(=O)(=O)CC1CNCCN1
InChIInChI=1S/C6H12N2O4S/c9-5-12-13(10,11)4-6-3-7-1-2-8-6/h5-8H,1-4H2
InChIKeyDRJBPNYPEGCZTA-UHFFFAOYSA-N
XLogP-1.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperazin-2-ylmethylsulfonyl formate?
The IUPAC name of piperazin-2-ylmethylsulfonyl formate (CID 174538290) is piperazin-2-ylmethylsulfonyl formate.
What is the SMILES notation for piperazin-2-ylmethylsulfonyl formate?
The canonical SMILES for piperazin-2-ylmethylsulfonyl formate is O=COS(=O)(=O)CC1CNCCN1.
What is the InChIKey of piperazin-2-ylmethylsulfonyl formate?
The InChIKey is DRJBPNYPEGCZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c9-5-12-13(10,11)4-6-3-7-1-2-8-6/h5-8H,1-4H2.
What are the key properties of piperazin-2-ylmethylsulfonyl formate?
piperazin-2-ylmethylsulfonyl formate has a molecular weight of 208.24 g/mol, XLogP of -1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-2-ylmethylsulfonyl formate is sourced from PubChem (CID 174538290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).