ethyl N-methylazetidine-1-carboximidothioate;propane

C10H22N2S — CID 144990797

IUPACethyl N-methylazetidine-1-carboximidothioate;propane
SMILESCCC.CCS/C(=N\C)N1CCC1
InChIInChI=1S/C7H14N2S.C3H8/c1-3-10-7(8-2)9-5-4-6-9;1-3-2/h3-6H2,1-2H3;3H2,1-2H3/b8-7-;
InChIKeyAGCBCVRGGQLYBX-CFYXSCKTSA-N
MW202.37 g/mol
LogP2.85
Rot. Bonds1

About ethyl N-methylazetidine-1-carboximidothioate;propane

ethyl N-methylazetidine-1-carboximidothioate;propane (PubChem CID 144990797) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is ethyl N-methylazetidine-1-carboximidothioate;propane.

Molecular Properties

Compound Nameethyl N-methylazetidine-1-carboximidothioate;propane
PubChem CID144990797
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Nameethyl N-methylazetidine-1-carboximidothioate;propane
SMILESCCC.CCS/C(=N\C)N1CCC1
InChIInChI=1S/C7H14N2S.C3H8/c1-3-10-7(8-2)9-5-4-6-9;1-3-2/h3-6H2,1-2H3;3H2,1-2H3/b8-7-;
InChIKeyAGCBCVRGGQLYBX-CFYXSCKTSA-N
XLogP2.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-3-thiol
CID 9815365
2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate
CID 3063091
N,N-diethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718866
2-(Azetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 23225616
ethyl N'-cyano-N,N-dipropylcarbamimidothioate
CID 53674436
1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-2-thiol
CID 53746082
2-(3-Methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59719040
2-(3-Methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59936374
2-(3-Propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 89432899
2-(3-Ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129141127
Ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 143658662
methyl N-methyl-3-sulfanylazetidine-1-carboximidothioate
CID 146334494

Frequently Asked Questions

What is the IUPAC name of ethyl N-methylazetidine-1-carboximidothioate;propane?
The IUPAC name of ethyl N-methylazetidine-1-carboximidothioate;propane (CID 144990797) is ethyl N-methylazetidine-1-carboximidothioate;propane.
What is the SMILES notation for ethyl N-methylazetidine-1-carboximidothioate;propane?
The canonical SMILES for ethyl N-methylazetidine-1-carboximidothioate;propane is CCC.CCS/C(=N\C)N1CCC1.
What is the InChIKey of ethyl N-methylazetidine-1-carboximidothioate;propane?
The InChIKey is AGCBCVRGGQLYBX-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H14N2S.C3H8/c1-3-10-7(8-2)9-5-4-6-9;1-3-2/h3-6H2,1-2H3;3H2,1-2H3/b8-7-;.
What are the key properties of ethyl N-methylazetidine-1-carboximidothioate;propane?
ethyl N-methylazetidine-1-carboximidothioate;propane has a molecular weight of 202.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methylazetidine-1-carboximidothioate;propane is sourced from PubChem (CID 144990797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).