2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide

C11H23N3O2S2 — CID 83120473

IUPAC2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C11H23N3O2S2/c1-9(10(12)17)18(15,16)13-8-11(14(2)3)6-4-5-7-11/h9,13H,4-8H2,1-3H3,(H2,12,17)
InChIKeyYNPWPPLFAFIIFA-UHFFFAOYSA-N
MW293.46 g/mol
LogP0.45
Rot. Bonds6

About 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide

2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide (PubChem CID 83120473) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide
PubChem CID83120473
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C11H23N3O2S2/c1-9(10(12)17)18(15,16)13-8-11(14(2)3)6-4-5-7-11/h9,13H,4-8H2,1-3H3,(H2,12,17)
InChIKeyYNPWPPLFAFIIFA-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 50.45
H-Bond Donors ≤ 52
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 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide?
The IUPAC name of 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide (CID 83120473) is 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide.
What is the SMILES notation for 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide?
The canonical SMILES for 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide is CC(C(N)=S)S(=O)(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide?
The InChIKey is YNPWPPLFAFIIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-9(10(12)17)18(15,16)13-8-11(14(2)3)6-4-5-7-11/h9,13H,4-8H2,1-3H3,(H2,12,17).
What are the key properties of 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide?
2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide has a molecular weight of 293.46 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)cyclopentyl]methylsulfamoyl]propanethioamide is sourced from PubChem (CID 83120473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).