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

C11H23N3S — CID 79949265

IUPAC[5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(C)CC2)CS1
InChIInChI=1S/C11H23N3S/c1-10-7-11(8-12,9-15-10)14-5-3-13(2)4-6-14/h10H,3-9,12H2,1-2H3
InChIKeyLHRZOFQLUDJJIP-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.46
Rot. Bonds2

About [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine

[5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine (PubChem CID 79949265) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine
PubChem CID79949265
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name[5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(C)CC2)CS1
InChIInChI=1S/C11H23N3S/c1-10-7-11(8-12,9-15-10)14-5-3-13(2)4-6-14/h10H,3-9,12H2,1-2H3
InChIKeyLHRZOFQLUDJJIP-UHFFFAOYSA-N
XLogP0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine (CID 79949265) is [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine is CC1CC(CN)(N2CCN(C)CC2)CS1.
What is the InChIKey of [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is LHRZOFQLUDJJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-10-7-11(8-12,9-15-10)14-5-3-13(2)4-6-14/h10H,3-9,12H2,1-2H3.
What are the key properties of [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine?
[5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 229.39 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79949265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).