4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide

C10H11ClN2O2S2 — CID 80644397

IUPAC4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)c2sccc2Cl)CCO1
InChIInChI=1S/C10H11ClN2O2S2/c11-6-1-4-17-8(6)10(14)13-2-3-15-7(5-13)9(12)16/h1,4,7H,2-3,5H2,(H2,12,16)
InChIKeyUJLCLHQJVBMVQN-UHFFFAOYSA-N
MW290.80 g/mol
LogP1.53
Rot. Bonds2

About 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide

4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide (PubChem CID 80644397) has the molecular formula C10H11ClN2O2S2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide
PubChem CID80644397
Molecular FormulaC10H11ClN2O2S2
Molecular Weight290.80 g/mol
Exact Mass290.00
IUPAC Name4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(C(=O)c2sccc2Cl)CCO1
InChIInChI=1S/C10H11ClN2O2S2/c11-6-1-4-17-8(6)10(14)13-2-3-15-7(5-13)9(12)16/h1,4,7H,2-3,5H2,(H2,12,16)
InChIKeyUJLCLHQJVBMVQN-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide (CID 80644397) is 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide is NC(=S)C1CN(C(=O)c2sccc2Cl)CCO1.
What is the InChIKey of 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide?
The InChIKey is UJLCLHQJVBMVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S2/c11-6-1-4-17-8(6)10(14)13-2-3-15-7(5-13)9(12)16/h1,4,7H,2-3,5H2,(H2,12,16).
What are the key properties of 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide?
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide has a molecular weight of 290.80 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 80644397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).