cyclohexylmethyl N'-methylcarbamimidothioate

C9H18N2S — CID 130719804

IUPACcyclohexylmethyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC1CCCCC1
InChIInChI=1S/C9H18N2S/c1-11-9(10)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyPOEJWMXHRMDAOZ-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.24
Rot. Bonds2

About cyclohexylmethyl N'-methylcarbamimidothioate

cyclohexylmethyl N'-methylcarbamimidothioate (PubChem CID 130719804) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is cyclohexylmethyl N'-methylcarbamimidothioate.

Molecular Properties

Compound Namecyclohexylmethyl N'-methylcarbamimidothioate
PubChem CID130719804
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Namecyclohexylmethyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCC1CCCCC1
InChIInChI=1S/C9H18N2S/c1-11-9(10)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyPOEJWMXHRMDAOZ-UHFFFAOYSA-N
XLogP2.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
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

cyclohexylmethyl N'-[(1S)-1-phenylethyl]carbamimidothioate
CID 8775712
2-cyclohexyl-N'-methylethanimidamide
CID 130678198
but-2-en-2-ylsulfanylmethylcyclohexane
CID 91299244
N'-(2-cyclohexylethyl)ethanimidamide
CID 63173186
2-cyclohexylethanethioamide
CID 18755158
methylsulfanylmethylcyclohexane;propane
CID 90890228
cyclohexylmethanamine;methanol
CID 70430105
cyclohexylmethyl(methyl)azanide
CID 54694435
2-methylpropyl N'-methylcarbamimidothioate
CID 126994362
nitrososulfanylmethylcyclohexane
CID 90392555
cyclobutylmethyl ethanimidothioate
CID 142153982
cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane
CID 174718309

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N'-methylcarbamimidothioate?
The IUPAC name of cyclohexylmethyl N'-methylcarbamimidothioate (CID 130719804) is cyclohexylmethyl N'-methylcarbamimidothioate.
What is the SMILES notation for cyclohexylmethyl N'-methylcarbamimidothioate?
The canonical SMILES for cyclohexylmethyl N'-methylcarbamimidothioate is C/N=C(\N)SCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N'-methylcarbamimidothioate?
The InChIKey is POEJWMXHRMDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-11-9(10)12-7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of cyclohexylmethyl N'-methylcarbamimidothioate?
cyclohexylmethyl N'-methylcarbamimidothioate has a molecular weight of 186.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N'-methylcarbamimidothioate is sourced from PubChem (CID 130719804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).