1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol

C10H22N2S — CID 135196282

IUPAC1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol
SMILESCC(C)CN1CCN(C(C)S)CC1
InChIInChI=1S/C10H22N2S/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h9-10,13H,4-8H2,1-3H3
InChIKeyNPARQDUIAJBTLC-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.54
Rot. Bonds3

About 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol

1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol (PubChem CID 135196282) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol
PubChem CID135196282
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol
SMILESCC(C)CN1CCN(C(C)S)CC1
InChIInChI=1S/C10H22N2S/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h9-10,13H,4-8H2,1-3H3
InChIKeyNPARQDUIAJBTLC-UHFFFAOYSA-N
XLogP1.54
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol?
The IUPAC name of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol (CID 135196282) is 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol.
What is the SMILES notation for 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol?
The canonical SMILES for 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol is CC(C)CN1CCN(C(C)S)CC1.
What is the InChIKey of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol?
The InChIKey is NPARQDUIAJBTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol?
1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol has a molecular weight of 202.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)piperazin-1-yl]ethanethiol is sourced from PubChem (CID 135196282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).