1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide

C10H18N2O2S — CID 80588933

IUPAC1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide
SMILESCOCCN(C)C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C10H18N2O2S/c1-12(6-7-14-2)9(13)10(8(11)15)4-3-5-10/h3-7H2,1-2H3,(H2,11,15)
InChIKeyKYLGFULOAUDBMX-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.55
Rot. Bonds5

About 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide

1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 80588933) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID80588933
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide
SMILESCOCCN(C)C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C10H18N2O2S/c1-12(6-7-14-2)9(13)10(8(11)15)4-3-5-10/h3-7H2,1-2H3,(H2,11,15)
InChIKeyKYLGFULOAUDBMX-UHFFFAOYSA-N
XLogP0.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.55
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-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide (CID 80588933) is 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide is COCCN(C)C(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is KYLGFULOAUDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-12(6-7-14-2)9(13)10(8(11)15)4-3-5-10/h3-7H2,1-2H3,(H2,11,15).
What are the key properties of 1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide?
1-carbamothioyl-N-(2-methoxyethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.55, 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-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80588933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).