N-cyclohexyl-2-ethylazepane-1-carbothioamide

C15H28N2S — CID 113441869

IUPACN-cyclohexyl-2-ethylazepane-1-carbothioamide
SMILESCCC1CCCCCN1C(=S)NC1CCCCC1
InChIInChI=1S/C15H28N2S/c1-2-14-11-7-4-8-12-17(14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyTZHKDMBIDIIOPY-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.85
Rot. Bonds2

About N-cyclohexyl-2-ethylazepane-1-carbothioamide

N-cyclohexyl-2-ethylazepane-1-carbothioamide (PubChem CID 113441869) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylazepane-1-carbothioamide.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylazepane-1-carbothioamide
PubChem CID113441869
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-cyclohexyl-2-ethylazepane-1-carbothioamide
SMILESCCC1CCCCCN1C(=S)NC1CCCCC1
InChIInChI=1S/C15H28N2S/c1-2-14-11-7-4-8-12-17(14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyTZHKDMBIDIIOPY-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-2-ethylazepane-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

N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
CID 115608532
2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
N-cyclohexyl-2-ethylazepane-1-carboxamide
CID 113240213
N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 2930684
(2R)-N-cyclohexyl-2-ethylpiperidine-1-carboxamide
CID 896060
N-cyclopentyl-2-ethylpiperidine-1-carboxamide
CID 17174323
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
(2S)-N-cyclohexyl-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carbothioamide
CID 95348894
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
N-cyclopropyl-2-methylpiperidine-1-carbothioamide
CID 19653964

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylazepane-1-carbothioamide?
The IUPAC name of N-cyclohexyl-2-ethylazepane-1-carbothioamide (CID 113441869) is N-cyclohexyl-2-ethylazepane-1-carbothioamide.
What is the SMILES notation for N-cyclohexyl-2-ethylazepane-1-carbothioamide?
The canonical SMILES for N-cyclohexyl-2-ethylazepane-1-carbothioamide is CCC1CCCCCN1C(=S)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-ethylazepane-1-carbothioamide?
The InChIKey is TZHKDMBIDIIOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-2-14-11-7-4-8-12-17(14)15(18)16-13-9-5-3-6-10-13/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-cyclohexyl-2-ethylazepane-1-carbothioamide?
N-cyclohexyl-2-ethylazepane-1-carbothioamide has a molecular weight of 268.47 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylazepane-1-carbothioamide is sourced from PubChem (CID 113441869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).