1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine

C17H28N2S — CID 171281355

IUPAC1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
SMILESCCc1ccc(C(C2CCCCC2)N2CCNCC2)s1
InChIInChI=1S/C17H28N2S/c1-2-15-8-9-16(20-15)17(14-6-4-3-5-7-14)19-12-10-18-11-13-19/h8-9,14,17-18H,2-7,10-13H2,1H3
InChIKeyCACDKPKNJLVCDK-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.84
Rot. Bonds4

About 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine

1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine (PubChem CID 171281355) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
PubChem CID171281355
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine
SMILESCCc1ccc(C(C2CCCCC2)N2CCNCC2)s1
InChIInChI=1S/C17H28N2S/c1-2-15-8-9-16(20-15)17(14-6-4-3-5-7-14)19-12-10-18-11-13-19/h8-9,14,17-18H,2-7,10-13H2,1H3
InChIKeyCACDKPKNJLVCDK-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine 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

1-[(R)-cyclopentyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171288298
1-[(1R)-2-cyclopropyl-1-(5-ethylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171293988
1-[(S)-cyclohexyl-(5-ethylfuran-2-yl)methyl]piperazine
CID 171282516
1-[(S)-cyclopropyl-(5-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171275666
1-[(5-bromothiophen-2-yl)-cyclopropylmethyl]piperazine
CID 82308445
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
1-[(1S)-1-(5-ethylthiophen-2-yl)-3-methylbutyl]piperazine;dihydrochloride
CID 171281368
1-[(1S)-1-(5-ethylthiophen-2-yl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302999
1-[(1R)-1-(5-ethylthiophen-2-yl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311160
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(R)-cyclohexyl(furan-2-yl)methyl]piperazine
CID 171294117
1-[(S)-cyclopentyl-(4,5-dibromothiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171283722

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine (CID 171281355) is 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine is CCc1ccc(C(C2CCCCC2)N2CCNCC2)s1.
What is the InChIKey of 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine?
The InChIKey is CACDKPKNJLVCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-2-15-8-9-16(20-15)17(14-6-4-3-5-7-14)19-12-10-18-11-13-19/h8-9,14,17-18H,2-7,10-13H2,1H3.
What are the key properties of 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine?
1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine has a molecular weight of 292.49 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(5-ethylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 171281355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).