(4-piperazin-1-ylthian-4-yl)methanol

C10H20N2OS — CID 61337983

IUPAC(4-piperazin-1-ylthian-4-yl)methanol
SMILESOCC1(N2CCNCC2)CCSCC1
InChIInChI=1S/C10H20N2OS/c13-9-10(1-7-14-8-2-10)12-5-3-11-4-6-12/h11,13H,1-9H2
InChIKeyONEHYSQTLIMUPL-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.15
Rot. Bonds2

About (4-piperazin-1-ylthian-4-yl)methanol

(4-piperazin-1-ylthian-4-yl)methanol (PubChem CID 61337983) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is (4-piperazin-1-ylthian-4-yl)methanol.

Molecular Properties

Compound Name(4-piperazin-1-ylthian-4-yl)methanol
PubChem CID61337983
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name(4-piperazin-1-ylthian-4-yl)methanol
SMILESOCC1(N2CCNCC2)CCSCC1
InChIInChI=1S/C10H20N2OS/c13-9-10(1-7-14-8-2-10)12-5-3-11-4-6-12/h11,13H,1-9H2
InChIKeyONEHYSQTLIMUPL-UHFFFAOYSA-N
XLogP0.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-piperazin-1-ylthian-4-yl)methanol?
The IUPAC name of (4-piperazin-1-ylthian-4-yl)methanol (CID 61337983) is (4-piperazin-1-ylthian-4-yl)methanol.
What is the SMILES notation for (4-piperazin-1-ylthian-4-yl)methanol?
The canonical SMILES for (4-piperazin-1-ylthian-4-yl)methanol is OCC1(N2CCNCC2)CCSCC1.
What is the InChIKey of (4-piperazin-1-ylthian-4-yl)methanol?
The InChIKey is ONEHYSQTLIMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c13-9-10(1-7-14-8-2-10)12-5-3-11-4-6-12/h11,13H,1-9H2.
What are the key properties of (4-piperazin-1-ylthian-4-yl)methanol?
(4-piperazin-1-ylthian-4-yl)methanol has a molecular weight of 216.35 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperazin-1-ylthian-4-yl)methanol is sourced from PubChem (CID 61337983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).