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

C13H27N3S — CID 79950215

IUPAC[5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCCCN1CCN(C2(CN)CSC(C)C2)CC1
InChIInChI=1S/C13H27N3S/c1-3-4-15-5-7-16(8-6-15)13(10-14)9-12(2)17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyJHNDFRNARCXVGU-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds4

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

[5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine (PubChem CID 79950215) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine
PubChem CID79950215
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name[5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCCCN1CCN(C2(CN)CSC(C)C2)CC1
InChIInChI=1S/C13H27N3S/c1-3-4-15-5-7-16(8-6-15)13(10-14)9-12(2)17-11-13/h12H,3-11,14H2,1-2H3
InChIKeyJHNDFRNARCXVGU-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 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 ≤ 51.24
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-propylpiperazin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine (CID 79950215) is [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine is CCCN1CCN(C2(CN)CSC(C)C2)CC1.
What is the InChIKey of [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is JHNDFRNARCXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-3-4-15-5-7-16(8-6-15)13(10-14)9-12(2)17-11-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine?
[5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(4-propylpiperazin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79950215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).