tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine

C15H28N2O4S — CID 174651220

IUPACtert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCN(C2CC2)CC1.CC(C)(C)OC=O
InChIInChI=1S/C10H18N2O2S.C5H10O2/c1-2-9-15(13,14)12-7-5-11(6-8-12)10-3-4-10;1-5(2,3)7-4-6/h2,10H,1,3-9H2;4H,1-3H3
InChIKeyYHAFXAWVOKQDON-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.24
Rot. Bonds5

About tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine

tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine (PubChem CID 174651220) has the molecular formula C15H28N2O4S and a molecular weight of 332.47 g/mol. Its IUPAC name is tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine.

Molecular Properties

Compound Nametert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine
PubChem CID174651220
Molecular FormulaC15H28N2O4S
Molecular Weight332.47 g/mol
Exact Mass332.18
IUPAC Nametert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine
SMILESC=CCS(=O)(=O)N1CCN(C2CC2)CC1.CC(C)(C)OC=O
InChIInChI=1S/C10H18N2O2S.C5H10O2/c1-2-9-15(13,14)12-7-5-11(6-8-12)10-3-4-10;1-5(2,3)7-4-6/h2,10H,1,3-9H2;4H,1-3H3
InChIKeyYHAFXAWVOKQDON-UHFFFAOYSA-N
XLogP1.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine?
The IUPAC name of tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine (CID 174651220) is tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine.
What is the SMILES notation for tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine?
The canonical SMILES for tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine is C=CCS(=O)(=O)N1CCN(C2CC2)CC1.CC(C)(C)OC=O.
What is the InChIKey of tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine?
The InChIKey is YHAFXAWVOKQDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S.C5H10O2/c1-2-9-15(13,14)12-7-5-11(6-8-12)10-3-4-10;1-5(2,3)7-4-6/h2,10H,1,3-9H2;4H,1-3H3.
What are the key properties of tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine?
tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine has a molecular weight of 332.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-cyclopropyl-4-prop-2-enylsulfonylpiperazine is sourced from PubChem (CID 174651220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).