1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol

C15H28N2S — CID 166981519

IUPAC1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol
SMILESCC(S)C1CCC(N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C15H28N2S/c1-12(18)13-2-4-14(5-3-13)16-8-10-17(11-9-16)15-6-7-15/h12-15,18H,2-11H2,1H3
InChIKeyZNLFBOZKWGABHH-UHFFFAOYSA-N
MW268.47 g/mol
LogP2.64
Rot. Bonds3

About 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol

1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol (PubChem CID 166981519) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol.

Molecular Properties

Compound Name1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol
PubChem CID166981519
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol
SMILESCC(S)C1CCC(N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C15H28N2S/c1-12(18)13-2-4-14(5-3-13)16-8-10-17(11-9-16)15-6-7-15/h12-15,18H,2-11H2,1H3
InChIKeyZNLFBOZKWGABHH-UHFFFAOYSA-N
XLogP2.64
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 52.64
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-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol?
The IUPAC name of 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol (CID 166981519) is 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol.
What is the SMILES notation for 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol?
The canonical SMILES for 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol is CC(S)C1CCC(N2CCN(C3CC3)CC2)CC1.
What is the InChIKey of 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol?
The InChIKey is ZNLFBOZKWGABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-12(18)13-2-4-14(5-3-13)16-8-10-17(11-9-16)15-6-7-15/h12-15,18H,2-11H2,1H3.
What are the key properties of 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol?
1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol has a molecular weight of 268.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyclopropylpiperazin-1-yl)cyclohexyl]ethanethiol is sourced from PubChem (CID 166981519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).