N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide

C11H20N2O2S — CID 61121727

IUPACN-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-2-15-8-9(14)13-11(10(12)16)6-4-3-5-7-11/h2-8H2,1H3,(H2,12,16)(H,13,14)
InChIKeyLVLLVGYQXCBEIO-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.13
Rot. Bonds5

About N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide

N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide (PubChem CID 61121727) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide
PubChem CID61121727
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C11H20N2O2S/c1-2-15-8-9(14)13-11(10(12)16)6-4-3-5-7-11/h2-8H2,1H3,(H2,12,16)(H,13,14)
InChIKeyLVLLVGYQXCBEIO-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.13
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-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide (CID 61121727) is N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide is CCOCC(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide?
The InChIKey is LVLLVGYQXCBEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-15-8-9(14)13-11(10(12)16)6-4-3-5-7-11/h2-8H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide?
N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide has a molecular weight of 244.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-2-ethoxyacetamide is sourced from PubChem (CID 61121727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).