N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide

C15H20N2O2S — CID 43369242

IUPACN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
SMILESNC(=S)COc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c16-14(20)10-19-13-8-6-12(7-9-13)17-15(18)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,16,20)(H,17,18)
InChIKeySDTJVQVVVHZDMN-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.87
Rot. Bonds5

About N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide

N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide (PubChem CID 43369242) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
PubChem CID43369242
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide
SMILESNC(=S)COc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c16-14(20)10-19-13-8-6-12(7-9-13)17-15(18)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,16,20)(H,17,18)
InChIKeySDTJVQVVVHZDMN-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(hydroxyamino)-2-oxoethoxy]phenyl]cyclohexanecarboxamide
CID 155811692
N-[4-(cyanomethoxy)phenyl]cyclooctanecarboxamide
CID 65018856
4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60847128
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(2-methylprop-2-enoxy)phenyl]cyclopropanecarboxamide
CID 17097627
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
9-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985118
N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
CID 64564189
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
[4-(cyclohexanecarbonylamino)phenyl] ethanesulfonate
CID 127045881

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide (CID 43369242) is N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide is NC(=S)COc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide?
The InChIKey is SDTJVQVVVHZDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-14(20)10-19-13-8-6-12(7-9-13)17-15(18)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,16,20)(H,17,18).
What are the key properties of N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide?
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 43369242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).