1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide

C15H28N2S — CID 107161581

IUPAC1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide
SMILESCCC1CCCC(N2CCC(C)(C(N)=S)CC2)C1
InChIInChI=1S/C15H28N2S/c1-3-12-5-4-6-13(11-12)17-9-7-15(2,8-10-17)14(16)18/h12-13H,3-11H2,1-2H3,(H2,16,18)
InChIKeyRMTMBPOJSLVMNS-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.34
Rot. Bonds3

About 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide

1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107161581) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107161581
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide
SMILESCCC1CCCC(N2CCC(C)(C(N)=S)CC2)C1
InChIInChI=1S/C15H28N2S/c1-3-12-5-4-6-13(11-12)17-9-7-15(2,8-10-17)14(16)18/h12-13H,3-11H2,1-2H3,(H2,16,18)
InChIKeyRMTMBPOJSLVMNS-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,3S)-3-ethylcyclohexyl]-4,4-difluoropiperidine
CID 144886153
4-methyl-1-(oxan-3-yl)piperidine-4-carbothioamide
CID 107161415
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792
4-(3-ethylcyclohexyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680508
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-ol
CID 114502422
9-(3-ethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64742631
[1-(3-ethylcyclopentyl)piperidin-3-yl]methanamine
CID 64513588
[4-(3-ethylcyclohexyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779892
1-(3-ethylcyclopentyl)piperidin-3-amine
CID 64513357
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine
CID 66202501

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide (CID 107161581) is 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide is CCC1CCCC(N2CCC(C)(C(N)=S)CC2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is RMTMBPOJSLVMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-12-5-4-6-13(11-12)17-9-7-15(2,8-10-17)14(16)18/h12-13H,3-11H2,1-2H3,(H2,16,18).
What are the key properties of 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide?
1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 268.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).