2-ethyl-N-methylazetidine-1-carbothioamide

C7H14N2S — CID 131084443

IUPAC2-ethyl-N-methylazetidine-1-carbothioamide
SMILESCCC1CCN1C(=S)NC
InChIInChI=1S/C7H14N2S/c1-3-6-4-5-9(6)7(10)8-2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyAMGMJARUZXVOKY-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.98
Rot. Bonds1

About 2-ethyl-N-methylazetidine-1-carbothioamide

2-ethyl-N-methylazetidine-1-carbothioamide (PubChem CID 131084443) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-ethyl-N-methylazetidine-1-carbothioamide.

Molecular Properties

Compound Name2-ethyl-N-methylazetidine-1-carbothioamide
PubChem CID131084443
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-ethyl-N-methylazetidine-1-carbothioamide
SMILESCCC1CCN1C(=S)NC
InChIInChI=1S/C7H14N2S/c1-3-6-4-5-9(6)7(10)8-2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyAMGMJARUZXVOKY-UHFFFAOYSA-N
XLogP0.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.98
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-methylazepane-1-carbothioamide
CID 115642318
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
N-cyclohexyl-2-ethylpyrrolidine-1-carbothioamide
CID 115608532
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
2-(methoxymethyl)-N-methylpiperidine-1-carbothioamide
CID 130647806
(2R)-2-ethylazetidine-1-carboxamide
CID 176980111
(2S)-2-ethylazetidine-1-carbothioic S-acid
CID 88826747
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
(2R)-N-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbothioamide
CID 51627761
2-ethyl-N,N'-dimethylpiperidine-1-carboximidamide
CID 130870401
2-ethyl-N-methyl-3-oxopiperazine-1-carbothioamide
CID 115617005
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylazetidine-1-carbothioamide?
The IUPAC name of 2-ethyl-N-methylazetidine-1-carbothioamide (CID 131084443) is 2-ethyl-N-methylazetidine-1-carbothioamide.
What is the SMILES notation for 2-ethyl-N-methylazetidine-1-carbothioamide?
The canonical SMILES for 2-ethyl-N-methylazetidine-1-carbothioamide is CCC1CCN1C(=S)NC.
What is the InChIKey of 2-ethyl-N-methylazetidine-1-carbothioamide?
The InChIKey is AMGMJARUZXVOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-3-6-4-5-9(6)7(10)8-2/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 2-ethyl-N-methylazetidine-1-carbothioamide?
2-ethyl-N-methylazetidine-1-carbothioamide has a molecular weight of 158.27 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylazetidine-1-carbothioamide is sourced from PubChem (CID 131084443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).