(2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine

C9H20N2S — CID 103866008

IUPAC(2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine
SMILESCCSCCN1CCNC[C@H]1C
InChIInChI=1S/C9H20N2S/c1-3-12-7-6-11-5-4-10-8-9(11)2/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyBMPGSRJILRQQBB-SECBINFHSA-N
MW188.34 g/mol
LogP1.03
Rot. Bonds4

About (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine

(2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine (PubChem CID 103866008) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine
PubChem CID103866008
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name(2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine
SMILESCCSCCN1CCNC[C@H]1C
InChIInChI=1S/C9H20N2S/c1-3-12-7-6-11-5-4-10-8-9(11)2/h9-10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyBMPGSRJILRQQBB-SECBINFHSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine (CID 103866008) is (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine is CCSCCN1CCNC[C@H]1C.
What is the InChIKey of (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine?
The InChIKey is BMPGSRJILRQQBB-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2S/c1-3-12-7-6-11-5-4-10-8-9(11)2/h9-10H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine?
(2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine has a molecular weight of 188.34 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylsulfanylethyl)-2-methylpiperazine is sourced from PubChem (CID 103866008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).