2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol

C10H20N2S — CID 103073159

IUPAC2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCN(C)C(C)C1
InChIInChI=1S/C10H20N2S/c1-9(8-13)6-12-5-4-11(3)10(2)7-12/h10,13H,1,4-8H2,2-3H3
InChIKeyUYKNBYMMRCDEBV-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.11
Rot. Bonds3

About 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol

2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol (PubChem CID 103073159) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol
PubChem CID103073159
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol
SMILESC=C(CS)CN1CCN(C)C(C)C1
InChIInChI=1S/C10H20N2S/c1-9(8-13)6-12-5-4-11(3)10(2)7-12/h10,13H,1,4-8H2,2-3H3
InChIKeyUYKNBYMMRCDEBV-UHFFFAOYSA-N
XLogP1.11
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylprop-2-enyl)-4-propan-2-ylpiperazine
CID 131161501
4-(4-Butan-2-ylpiperazin-1-yl)but-2-ene-1-thiol
CID 80007258
4-(4-Ethyl-3-methylpiperazin-1-yl)but-2-ene-1-thiol
CID 80007844
4-(3,4-Dimethylpiperazin-1-yl)but-2-ene-1-thiol
CID 80008387
4-(3-Ethyl-4-methylpiperazin-1-yl)but-2-ene-1-thiol
CID 80018076
4-(3,3,4-Trimethylpiperazin-1-yl)but-2-ene-1-thiol
CID 80018305
4-(4-Propan-2-ylpiperazin-1-yl)but-2-ene-1-thiol
CID 80024521
(2S,6R)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine
CID 99832759
(2S,6S)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine
CID 99832760
(2R,6R)-2,6-dimethyl-1,4-bis(2-methylprop-2-enyl)piperazine
CID 99832761
2-[[Methyl-(1-methylpiperidin-3-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073160
2-[(4-Butan-2-ylpiperazin-1-yl)methyl]prop-2-ene-1-thiol
CID 103073161

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol (CID 103073159) is 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol is C=C(CS)CN1CCN(C)C(C)C1.
What is the InChIKey of 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol?
The InChIKey is UYKNBYMMRCDEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-9(8-13)6-12-5-4-11(3)10(2)7-12/h10,13H,1,4-8H2,2-3H3.
What are the key properties of 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol?
2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol has a molecular weight of 200.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpiperazin-1-yl)methyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103073159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).