1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide

C11H20N2O2S — CID 80588932

IUPAC1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCOCCN(C)C(=O)C1(C(N)=S)CC(C)C1
InChIInChI=1S/C11H20N2O2S/c1-8-6-11(7-8,9(12)16)10(14)13(2)4-5-15-3/h8H,4-7H2,1-3H3,(H2,12,16)
InChIKeyIYXNNBJSGWITTF-UHFFFAOYSA-N
MW244.36 g/mol
LogP0.79
Rot. Bonds5

About 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide

1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 80588932) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID80588932
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCOCCN(C)C(=O)C1(C(N)=S)CC(C)C1
InChIInChI=1S/C11H20N2O2S/c1-8-6-11(7-8,9(12)16)10(14)13(2)4-5-15-3/h8H,4-7H2,1-3H3,(H2,12,16)
InChIKeyIYXNNBJSGWITTF-UHFFFAOYSA-N
XLogP0.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
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 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide (CID 80588932) is 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide is COCCN(C)C(=O)C1(C(N)=S)CC(C)C1.
What is the InChIKey of 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is IYXNNBJSGWITTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8-6-11(7-8,9(12)16)10(14)13(2)4-5-15-3/h8H,4-7H2,1-3H3,(H2,12,16).
What are the key properties of 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide?
1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2-methoxyethyl)-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).