1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine

C10H21N3S — CID 65133837

IUPAC1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine
SMILES[H]/N=C(\CSC(C)C)N1CCN(C)CC1
InChIInChI=1S/C10H21N3S/c1-9(2)14-8-10(11)13-6-4-12(3)5-7-13/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyOBYFMQOWEKTARV-ZHACJKMWSA-N
MW215.37 g/mol
LogP1.35
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine

1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine (PubChem CID 65133837) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine
PubChem CID65133837
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine
SMILES[H]/N=C(\CSC(C)C)N1CCN(C)CC1
InChIInChI=1S/C10H21N3S/c1-9(2)14-8-10(11)13-6-4-12(3)5-7-13/h9,11H,4-8H2,1-3H3/b11-10+
InChIKeyOBYFMQOWEKTARV-ZHACJKMWSA-N
XLogP1.35
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine (CID 65133837) is 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine is [H]/N=C(\CSC(C)C)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine?
The InChIKey is OBYFMQOWEKTARV-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3S/c1-9(2)14-8-10(11)13-6-4-12(3)5-7-13/h9,11H,4-8H2,1-3H3/b11-10+.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine?
1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine has a molecular weight of 215.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfanylethanimine is sourced from PubChem (CID 65133837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).