1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol

C24H28N2OS2 — CID 2809879

IUPAC1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESOC(CSc1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N2OS2/c27-22(19-29-23-12-7-17-28-23)18-25-13-15-26(16-14-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,22,24,27H,13-16,18-19H2
InChIKeyBSQCPSUSGDEXDQ-UHFFFAOYSA-N
MW424.64 g/mol
LogP4.61
Rot. Bonds8

About 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol

1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol (PubChem CID 2809879) has the molecular formula C24H28N2OS2 and a molecular weight of 424.64 g/mol. Its IUPAC name is 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol
PubChem CID2809879
Molecular FormulaC24H28N2OS2
Molecular Weight424.64 g/mol
Exact Mass424.16
IUPAC Name1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol
SMILESOC(CSc1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28N2OS2/c27-22(19-29-23-12-7-17-28-23)18-25-13-15-26(16-14-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,22,24,27H,13-16,18-19H2
InChIKeyBSQCPSUSGDEXDQ-UHFFFAOYSA-N
XLogP4.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.64
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol 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-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol (CID 2809879) is 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol is OC(CSc1cccs1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol?
The InChIKey is BSQCPSUSGDEXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2OS2/c27-22(19-29-23-12-7-17-28-23)18-25-13-15-26(16-14-25)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,17,22,24,27H,13-16,18-19H2.
What are the key properties of 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol?
1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol has a molecular weight of 424.64 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylpiperazin-1-yl)-3-thiophen-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 2809879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).