1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine

C13H27N3S — CID 114271372

IUPAC1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine
SMILESCC(C)(C)SCCN1CCN(C2CNC2)CC1
InChIInChI=1S/C13H27N3S/c1-13(2,3)17-9-8-15-4-6-16(7-5-15)12-10-14-11-12/h12,14H,4-11H2,1-3H3
InChIKeyIVPPAZRKYMWZKM-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.11
Rot. Bonds4

About 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine

1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine (PubChem CID 114271372) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine
PubChem CID114271372
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine
SMILESCC(C)(C)SCCN1CCN(C2CNC2)CC1
InChIInChI=1S/C13H27N3S/c1-13(2,3)17-9-8-15-4-6-16(7-5-15)12-10-14-11-12/h12,14H,4-11H2,1-3H3
InChIKeyIVPPAZRKYMWZKM-UHFFFAOYSA-N
XLogP1.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine (CID 114271372) is 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine is CC(C)(C)SCCN1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine?
The InChIKey is IVPPAZRKYMWZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-13(2,3)17-9-8-15-4-6-16(7-5-15)12-10-14-11-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine?
1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine has a molecular weight of 257.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2-tert-butylsulfanylethyl)piperazine is sourced from PubChem (CID 114271372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).