2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide

C15H20N2OS — CID 2976790

IUPAC2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCC1)C(=S)NCc1ccccc1
InChIInChI=1S/C15H20N2OS/c18-14(17-13-9-5-2-6-10-13)15(19)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,19)(H,17,18)
InChIKeyNEMIJEMFBXTHEM-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.55
Rot. Bonds3

About 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide

2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide (PubChem CID 2976790) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
PubChem CID2976790
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
SMILESO=C(NC1CCCCC1)C(=S)NCc1ccccc1
InChIInChI=1S/C15H20N2OS/c18-14(17-13-9-5-2-6-10-13)15(19)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,19)(H,17,18)
InChIKeyNEMIJEMFBXTHEM-UHFFFAOYSA-N
XLogP2.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(cyclohexylcarbamothioyl)urea
CID 134871380
N-benzyl-N'-cyclohexylpropanediamide
CID 108942512
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2977537
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-4-[2-(cyclohexylcarbamoyl)hydrazinyl]-4-oxobutanamide
CID 2959299
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
1-cyclododecyl-3-(2-phenylethyl)thiourea
CID 17298455
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide?
The IUPAC name of 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide (CID 2976790) is 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide?
The canonical SMILES for 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide is O=C(NC1CCCCC1)C(=S)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide?
The InChIKey is NEMIJEMFBXTHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-14(17-13-9-5-2-6-10-13)15(19)16-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,19)(H,17,18).
What are the key properties of 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide?
2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide has a molecular weight of 276.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide is sourced from PubChem (CID 2976790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).