3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide

C16H22N2OS — CID 82179274

IUPAC3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CC(N)=S)c1)C1CCCCC1
InChIInChI=1S/C16H22N2OS/c1-18(14-8-3-2-4-9-14)16(19)13-7-5-6-12(10-13)11-15(17)20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H2,17,20)
InChIKeyPLVMUNKBKKRCFK-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.92
Rot. Bonds4

About 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide

3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide (PubChem CID 82179274) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
PubChem CID82179274
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CC(N)=S)c1)C1CCCCC1
InChIInChI=1S/C16H22N2OS/c1-18(14-8-3-2-4-9-14)16(19)13-7-5-6-12(10-13)11-15(17)20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H2,17,20)
InChIKeyPLVMUNKBKKRCFK-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
CID 82179287
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
3-[[3-(2-amino-2-sulfanylideneethyl)benzoyl]-methylamino]propanoic acid
CID 82178968
3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
CID 60820921
3-[[4-[cyclohexyl(methyl)carbamoyl]anilino]methyl]benzoic acid
CID 122034036
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide (CID 82179274) is 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1cccc(CC(N)=S)c1)C1CCCCC1.
What is the InChIKey of 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide?
The InChIKey is PLVMUNKBKKRCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-18(14-8-3-2-4-9-14)16(19)13-7-5-6-12(10-13)11-15(17)20/h5-7,10,14H,2-4,8-9,11H2,1H3,(H2,17,20).
What are the key properties of 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide?
3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide has a molecular weight of 290.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 82179274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).