(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol

C13H26N2S — CID 174300684

IUPAC(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol
SMILESC[C@@H](S)C1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2S/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h11-13,16H,3-10H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeySIXQJEFSGQGQPP-PNESKVBLSA-N
MW242.43 g/mol
LogP2.11
Rot. Bonds2

About (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol

(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol (PubChem CID 174300684) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol.

Molecular Properties

Compound Name(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol
PubChem CID174300684
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol
SMILESC[C@@H](S)C1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N2S/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h11-13,16H,3-10H2,1-2H3/t11-,12?,13?/m1/s1
InChIKeySIXQJEFSGQGQPP-PNESKVBLSA-N
XLogP2.11
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
4-(4-methylpiperazin-1-yl)-N-propan-2-ylcyclohexan-1-amine
CID 67476033
1-(4-iodocyclohexyl)-4-methylpiperazine
CID 134444835
1-cyclopropyl-4-methylpiperazine;ethane;4-methylmorpholine
CID 142483010
1-cyclopropyl-4-[3-(4-methylpiperazin-1-yl)butyl]piperazine
CID 130429186
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
CID 107024691
1-cyclopropyl-4-methylpiperazine;1,2,4-trimethylpiperazine
CID 142374718
1-methyl-4-(4-prop-1-ynylcyclohexyl)piperazine
CID 155218445
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol?
The IUPAC name of (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol (CID 174300684) is (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol.
What is the SMILES notation for (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol?
The canonical SMILES for (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol is C[C@@H](S)C1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol?
The InChIKey is SIXQJEFSGQGQPP-PNESKVBLSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11(16)12-3-5-13(6-4-12)15-9-7-14(2)8-10-15/h11-13,16H,3-10H2,1-2H3/t11-,12?,13?/m1/s1.
What are the key properties of (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol?
(1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol has a molecular weight of 242.43 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]ethanethiol is sourced from PubChem (CID 174300684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).