N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide

C14H27N3S — CID 115763520

IUPACN-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide
SMILESCCN1CCN(C(=S)NC2CCCCC2)CC1C
InChIInChI=1S/C14H27N3S/c1-3-16-9-10-17(11-12(16)2)14(18)15-13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyRIGORSAEHOJZMF-UHFFFAOYSA-N
MW269.46 g/mol
LogP2.22
Rot. Bonds2

About N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide

N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide (PubChem CID 115763520) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide
PubChem CID115763520
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC NameN-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide
SMILESCCN1CCN(C(=S)NC2CCCCC2)CC1C
InChIInChI=1S/C14H27N3S/c1-3-16-9-10-17(11-12(16)2)14(18)15-13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyRIGORSAEHOJZMF-UHFFFAOYSA-N
XLogP2.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide 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

(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457101
(3R,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carbothioamide
CID 2457098
(3R)-N-cyclopentyl-3-methylpiperidine-1-carbothioamide
CID 947302
N-cyclohexyl-3-propylpyrrolidine-1-carbothioamide
CID 116510071
(3S)-N-cyclohexyl-3-hydroxypiperidine-1-carbothioamide
CID 8669560
(3S)-1-(4-ethyl-3-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125816
N'-cyclopentyl-4-ethyl-3-methylpiperazine-1-carboximidamide
CID 63620899
N-cyclohexyl-3-azabicyclo[3.2.2]nonane-3-carbothioamide
CID 2797406
2-(4-ethyl-3-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63610170
N-cyclohexyl-4-(dimethylamino)piperidine-1-carbothioamide
CID 113224022
N-cyclohexyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 116509404
N-cyclopropylazocane-1-carbothioamide
CID 115570256

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide (CID 115763520) is N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide is CCN1CCN(C(=S)NC2CCCCC2)CC1C.
What is the InChIKey of N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide?
The InChIKey is RIGORSAEHOJZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-3-16-9-10-17(11-12(16)2)14(18)15-13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide?
N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide has a molecular weight of 269.46 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethyl-3-methylpiperazine-1-carbothioamide is sourced from PubChem (CID 115763520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).