acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine

C17H24N2OS — CID 143596211

IUPACacetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
SMILESC#C.C1CCNC1.CC(=O)Nc1ccc(SC2CC2)cc1
InChIInChI=1S/C11H13NOS.C4H9N.C2H2/c1-8(13)12-9-2-4-10(5-3-9)14-11-6-7-11;1-2-4-5-3-1;1-2/h2-5,11H,6-7H2,1H3,(H,12,13);5H,1-4H2;1-2H
InChIKeyHCMAQAAGDJLUHR-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.52
Rot. Bonds3

About acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine

acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine (PubChem CID 143596211) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine.

Molecular Properties

Compound Nameacetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
PubChem CID143596211
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Nameacetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine
SMILESC#C.C1CCNC1.CC(=O)Nc1ccc(SC2CC2)cc1
InChIInChI=1S/C11H13NOS.C4H9N.C2H2/c1-8(13)12-9-2-4-10(5-3-9)14-11-6-7-11;1-2-4-5-3-1;1-2/h2-5,11H,6-7H2,1H3,(H,12,13);5H,1-4H2;1-2H
InChIKeyHCMAQAAGDJLUHR-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine?
The IUPAC name of acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine (CID 143596211) is acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine.
What is the SMILES notation for acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine?
The canonical SMILES for acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine is C#C.C1CCNC1.CC(=O)Nc1ccc(SC2CC2)cc1.
What is the InChIKey of acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine?
The InChIKey is HCMAQAAGDJLUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS.C4H9N.C2H2/c1-8(13)12-9-2-4-10(5-3-9)14-11-6-7-11;1-2-4-5-3-1;1-2/h2-5,11H,6-7H2,1H3,(H,12,13);5H,1-4H2;1-2H.
What are the key properties of acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine?
acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine has a molecular weight of 304.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-(4-cyclopropylsulfanylphenyl)acetamide;pyrrolidine is sourced from PubChem (CID 143596211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).