ethane;1-ethyl-4-methylpiperazine;methanethiol

C10H26N2S — CID 142272147

IUPACethane;1-ethyl-4-methylpiperazine;methanethiol
SMILESCC.CCN1CCN(C)CC1.CS
InChIInChI=1S/C7H16N2.C2H6.CH4S/c1-3-9-6-4-8(2)5-7-9;2*1-2/h3-7H2,1-2H3;1-2H3;2H,1H3
InChIKeyAXAQBWNVHXBFMM-UHFFFAOYSA-N
MW206.40 g/mol
LogP1.83
Rot. Bonds1

About ethane;1-ethyl-4-methylpiperazine;methanethiol

ethane;1-ethyl-4-methylpiperazine;methanethiol (PubChem CID 142272147) has the molecular formula C10H26N2S and a molecular weight of 206.40 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpiperazine;methanethiol.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpiperazine;methanethiol
PubChem CID142272147
Molecular FormulaC10H26N2S
Molecular Weight206.40 g/mol
Exact Mass206.18
IUPAC Nameethane;1-ethyl-4-methylpiperazine;methanethiol
SMILESCC.CCN1CCN(C)CC1.CS
InChIInChI=1S/C7H16N2.C2H6.CH4S/c1-3-9-6-4-8(2)5-7-9;2*1-2/h3-7H2,1-2H3;1-2H3;2H,1H3
InChIKeyAXAQBWNVHXBFMM-UHFFFAOYSA-N
XLogP1.83
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774
acetaldehyde;1-ethyl-4-methylpiperazine
CID 143528036
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-ethyl-3-methylimidazolidine;phosphane;bromide
CID 167699735
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1,4-diethylpiperazine;sulfane
CID 177062456
ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 176978736

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpiperazine;methanethiol?
The IUPAC name of ethane;1-ethyl-4-methylpiperazine;methanethiol (CID 142272147) is ethane;1-ethyl-4-methylpiperazine;methanethiol.
What is the SMILES notation for ethane;1-ethyl-4-methylpiperazine;methanethiol?
The canonical SMILES for ethane;1-ethyl-4-methylpiperazine;methanethiol is CC.CCN1CCN(C)CC1.CS.
What is the InChIKey of ethane;1-ethyl-4-methylpiperazine;methanethiol?
The InChIKey is AXAQBWNVHXBFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6.CH4S/c1-3-9-6-4-8(2)5-7-9;2*1-2/h3-7H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;1-ethyl-4-methylpiperazine;methanethiol?
ethane;1-ethyl-4-methylpiperazine;methanethiol has a molecular weight of 206.40 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpiperazine;methanethiol is sourced from PubChem (CID 142272147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).