N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide

C14H20N2OS2 — CID 61123402

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
SMILESNC(=S)C(NC(=O)Cc1ccsc1)C1CCCCC1
InChIInChI=1S/C14H20N2OS2/c15-14(18)13(11-4-2-1-3-5-11)16-12(17)8-10-6-7-19-9-10/h6-7,9,11,13H,1-5,8H2,(H2,15,18)(H,16,17)
InChIKeyDDZNONABDAKICV-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.64
Rot. Bonds5

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide (PubChem CID 61123402) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
PubChem CID61123402
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
SMILESNC(=S)C(NC(=O)Cc1ccsc1)C1CCCCC1
InChIInChI=1S/C14H20N2OS2/c15-14(18)13(11-4-2-1-3-5-11)16-12(17)8-10-6-7-19-9-10/h6-7,9,11,13H,1-5,8H2,(H2,15,18)(H,16,17)
InChIKeyDDZNONABDAKICV-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide (CID 61123402) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide is NC(=S)C(NC(=O)Cc1ccsc1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide?
The InChIKey is DDZNONABDAKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c15-14(18)13(11-4-2-1-3-5-11)16-12(17)8-10-6-7-19-9-10/h6-7,9,11,13H,1-5,8H2,(H2,15,18)(H,16,17).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide has a molecular weight of 296.46 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 61123402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).