2-ethyl-N-methylazepane-1-carbothioamide

C10H20N2S — CID 115642318

IUPAC2-ethyl-N-methylazepane-1-carbothioamide
SMILESCCC1CCCCCN1C(=S)NC
InChIInChI=1S/C10H20N2S/c1-3-9-7-5-4-6-8-12(9)10(13)11-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLNMNGJVMWBCNCU-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.15
Rot. Bonds1

About 2-ethyl-N-methylazepane-1-carbothioamide

2-ethyl-N-methylazepane-1-carbothioamide (PubChem CID 115642318) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-ethyl-N-methylazepane-1-carbothioamide.

Molecular Properties

Compound Name2-ethyl-N-methylazepane-1-carbothioamide
PubChem CID115642318
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-ethyl-N-methylazepane-1-carbothioamide
SMILESCCC1CCCCCN1C(=S)NC
InChIInChI=1S/C10H20N2S/c1-3-9-7-5-4-6-8-12(9)10(13)11-2/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyLNMNGJVMWBCNCU-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methylazetidine-1-carbothioamide
CID 131084443
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide
CID 130647806
N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
CID 115608532
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
2-ethyl-N,N'-dimethylpiperidine-1-carboximidamide
CID 130870401
(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
CID 51627761
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
N-(2,6-dichlorophenyl)-2-ethylazepane-1-carbothioamide
CID 104691156
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylazepane-1-carbothioamide?
The IUPAC name of 2-ethyl-N-methylazepane-1-carbothioamide (CID 115642318) is 2-ethyl-N-methylazepane-1-carbothioamide.
What is the SMILES notation for 2-ethyl-N-methylazepane-1-carbothioamide?
The canonical SMILES for 2-ethyl-N-methylazepane-1-carbothioamide is CCC1CCCCCN1C(=S)NC.
What is the InChIKey of 2-ethyl-N-methylazepane-1-carbothioamide?
The InChIKey is LNMNGJVMWBCNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-9-7-5-4-6-8-12(9)10(13)11-2/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 2-ethyl-N-methylazepane-1-carbothioamide?
2-ethyl-N-methylazepane-1-carbothioamide has a molecular weight of 200.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylazepane-1-carbothioamide is sourced from PubChem (CID 115642318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).