methyl N-(2-cyclohexylacetyl)carbamimidothioate

C10H18N2OS — CID 146427733

IUPACmethyl N-(2-cyclohexylacetyl)carbamimidothioate
SMILES[H]/N=C(/NC(=O)CC1CCCCC1)SC
InChIInChI=1S/C10H18N2OS/c1-14-10(11)12-9(13)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyKCEFYTGTEVYVAM-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.37
Rot. Bonds2

About methyl N-(2-cyclohexylacetyl)carbamimidothioate

methyl N-(2-cyclohexylacetyl)carbamimidothioate (PubChem CID 146427733) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is methyl N-(2-cyclohexylacetyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N-(2-cyclohexylacetyl)carbamimidothioate
PubChem CID146427733
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Namemethyl N-(2-cyclohexylacetyl)carbamimidothioate
SMILES[H]/N=C(/NC(=O)CC1CCCCC1)SC
InChIInChI=1S/C10H18N2OS/c1-14-10(11)12-9(13)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,13)
InChIKeyKCEFYTGTEVYVAM-UHFFFAOYSA-N
XLogP2.37
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-cyclohexyl-N-ethynylacetamide
CID 69021361
N-carbamothioyl-2-cyclopentylacetamide
CID 23547678
2-cyclobutyl-N-methylacetamide
CID 57296172
1-cyclohexadecylpropan-2-one
CID 175123721
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
methyl 2-[(2-cyclohexylacetyl)amino]acetate
CID 43404765
2-[(2-cyclohexylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 43183375
methyl N-(cyclohexylmethylcarbamoyl)carbamimidate
CID 173453420
methyl N-(3-cyclohexylpropanoylamino)carbamodithioate
CID 57393620
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
CID 120507495
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-cyclohexylacetyl)carbamimidothioate?
The IUPAC name of methyl N-(2-cyclohexylacetyl)carbamimidothioate (CID 146427733) is methyl N-(2-cyclohexylacetyl)carbamimidothioate.
What is the SMILES notation for methyl N-(2-cyclohexylacetyl)carbamimidothioate?
The canonical SMILES for methyl N-(2-cyclohexylacetyl)carbamimidothioate is [H]/N=C(/NC(=O)CC1CCCCC1)SC.
What is the InChIKey of methyl N-(2-cyclohexylacetyl)carbamimidothioate?
The InChIKey is KCEFYTGTEVYVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-14-10(11)12-9(13)7-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of methyl N-(2-cyclohexylacetyl)carbamimidothioate?
methyl N-(2-cyclohexylacetyl)carbamimidothioate has a molecular weight of 214.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-cyclohexylacetyl)carbamimidothioate is sourced from PubChem (CID 146427733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).