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

C10H21N3S — CID 24694149

IUPAC[3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCN1CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C10H21N3S/c1-12-3-5-13(6-4-12)10(8-11)2-7-14-9-10/h2-9,11H2,1H3
InChIKeySIOKKTXGWGELHH-UHFFFAOYSA-N
MW215.37 g/mol
LogP0.07
Rot. Bonds2

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

[3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine (PubChem CID 24694149) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is [3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine
PubChem CID24694149
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name[3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCN1CCN(C2(CN)CCSC2)CC1
InChIInChI=1S/C10H21N3S/c1-12-3-5-13(6-4-12)10(8-11)2-7-14-9-10/h2-9,11H2,1H3
InChIKeySIOKKTXGWGELHH-UHFFFAOYSA-N
XLogP0.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 50.07
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)thiolan-3-yl]methanamine?
The IUPAC name of [3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine (CID 24694149) is [3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine is CN1CCN(C2(CN)CCSC2)CC1.
What is the InChIKey of [3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is SIOKKTXGWGELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-12-3-5-13(6-4-12)10(8-11)2-7-14-9-10/h2-9,11H2,1H3.
What are the key properties of [3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine?
[3-(4-methylpiperazin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 215.37 g/mol, XLogP of 0.07, 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)thiolan-3-yl]methanamine is sourced from PubChem (CID 24694149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).