N-cyclohexyl-2-ethylpiperidine-1-carbothioamide

C14H26N2S — CID 4534164

IUPACN-cyclohexyl-2-ethylpiperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)NC1CCCCC1
InChIInChI=1S/C14H26N2S/c1-2-13-10-6-7-11-16(13)14(17)15-12-8-4-3-5-9-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyJMCGQYHZSJTRRI-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.46
Rot. Bonds2

About N-cyclohexyl-2-ethylpiperidine-1-carbothioamide

N-cyclohexyl-2-ethylpiperidine-1-carbothioamide (PubChem CID 4534164) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylpiperidine-1-carbothioamide
PubChem CID4534164
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC NameN-cyclohexyl-2-ethylpiperidine-1-carbothioamide
SMILESCCC1CCCCN1C(=S)NC1CCCCC1
InChIInChI=1S/C14H26N2S/c1-2-13-10-6-7-11-16(13)14(17)15-12-8-4-3-5-9-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyJMCGQYHZSJTRRI-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylpiperidine-1-carbothioamide?
The IUPAC name of N-cyclohexyl-2-ethylpiperidine-1-carbothioamide (CID 4534164) is N-cyclohexyl-2-ethylpiperidine-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-2-ethylpiperidine-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-2-ethylpiperidine-1-carbothioamide is CCC1CCCCN1C(=S)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-ethylpiperidine-1-carbothioamide?
The InChIKey is JMCGQYHZSJTRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-2-13-10-6-7-11-16(13)14(17)15-12-8-4-3-5-9-12/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of N-cyclohexyl-2-ethylpiperidine-1-carbothioamide?
N-cyclohexyl-2-ethylpiperidine-1-carbothioamide has a molecular weight of 254.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylpiperidine-1-carbothioamide is sourced from PubChem (CID 4534164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).