2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide

C11H22N2O2S2 — CID 79362637

IUPAC2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C11H22N2O2S2/c1-7(9(12)16)17(14,15)13-6-8-10(2,3)11(8,4)5/h7-8,13H,6H2,1-5H3,(H2,12,16)
InChIKeyRNZZITYRYAAVIV-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.26
Rot. Bonds5

About 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide

2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide (PubChem CID 79362637) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide.

Molecular Properties

Compound Name2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide
PubChem CID79362637
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C11H22N2O2S2/c1-7(9(12)16)17(14,15)13-6-8-10(2,3)11(8,4)5/h7-8,13H,6H2,1-5H3,(H2,12,16)
InChIKeyRNZZITYRYAAVIV-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.26
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 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide?
The IUPAC name of 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide (CID 79362637) is 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide.
What is the SMILES notation for 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide?
The canonical SMILES for 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide is CC(C(N)=S)S(=O)(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide?
The InChIKey is RNZZITYRYAAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-7(9(12)16)17(14,15)13-6-8-10(2,3)11(8,4)5/h7-8,13H,6H2,1-5H3,(H2,12,16).
What are the key properties of 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide?
2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide has a molecular weight of 278.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetramethylcyclopropyl)methylsulfamoyl]propanethioamide is sourced from PubChem (CID 79362637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).