3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol

C10H20N2OS — CID 84735009

IUPAC3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol
SMILESCN1CCN(CC2(O)CCSC2)CC1
InChIInChI=1S/C10H20N2OS/c1-11-3-5-12(6-4-11)8-10(13)2-7-14-9-10/h13H,2-9H2,1H3
InChIKeyHYYBNABRLRJQOP-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.10
Rot. Bonds2

About 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol

3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol (PubChem CID 84735009) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol
PubChem CID84735009
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol
SMILESCN1CCN(CC2(O)CCSC2)CC1
InChIInChI=1S/C10H20N2OS/c1-11-3-5-12(6-4-11)8-10(13)2-7-14-9-10/h13H,2-9H2,1H3
InChIKeyHYYBNABRLRJQOP-UHFFFAOYSA-N
XLogP0.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol (CID 84735009) is 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol is CN1CCN(CC2(O)CCSC2)CC1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol?
The InChIKey is HYYBNABRLRJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-11-3-5-12(6-4-11)8-10(13)2-7-14-9-10/h13H,2-9H2,1H3.
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol?
3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol has a molecular weight of 216.35 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]thiolan-3-ol is sourced from PubChem (CID 84735009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).