2-(propylsulfonylamino)pentanethioamide

C8H18N2O2S2 — CID 61124649

IUPAC2-(propylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)CCC)C(N)=S
InChIInChI=1S/C8H18N2O2S2/c1-3-5-7(8(9)13)10-14(11,12)6-4-2/h7,10H,3-6H2,1-2H3,(H2,9,13)
InChIKeyPEDNQYFQNQBKHS-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.77
Rot. Bonds7

About 2-(propylsulfonylamino)pentanethioamide

2-(propylsulfonylamino)pentanethioamide (PubChem CID 61124649) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-(propylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name2-(propylsulfonylamino)pentanethioamide
PubChem CID61124649
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC Name2-(propylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)CCC)C(N)=S
InChIInChI=1S/C8H18N2O2S2/c1-3-5-7(8(9)13)10-14(11,12)6-4-2/h7,10H,3-6H2,1-2H3,(H2,9,13)
InChIKeyPEDNQYFQNQBKHS-UHFFFAOYSA-N
XLogP0.77
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(butylsulfonylamino)pentyl]butane-1-sulfonamide
CID 44434528
N-[5-(ethylsulfonylamino)pentyl]ethanesulfonamide
CID 76333274
N-[5-(propylsulfonylamino)pentyl]propane-1-sulfonamide
CID 76311534
3-(4,4,4-Trifluorobutylsulfonylamino)pentanethioamide
CID 83057912
2-(4,4,4-Trifluorobutylsulfonylamino)butanethioamide
CID 83058364
2-(4,4,4-Trifluorobutylsulfonylamino)pentanethioamide
CID 83058365
N-(1-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067939
2-(5,5,5-Trifluoropentylsulfamoyl)butanethioamide
CID 115519866
N-(2-aminopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 116271424
N-ethylsulfonyl-5-(methanethioylsulfamoyl)pentanethioamide
CID 53934714
3-(Pentylsulfonylamino)pentane-1-sulfonamide
CID 57145872
N-(2-aminocyclohexyl)ethanesulfonamide
CID 61036878

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)pentanethioamide?
The IUPAC name of 2-(propylsulfonylamino)pentanethioamide (CID 61124649) is 2-(propylsulfonylamino)pentanethioamide.
What is the SMILES notation for 2-(propylsulfonylamino)pentanethioamide?
The canonical SMILES for 2-(propylsulfonylamino)pentanethioamide is CCCC(NS(=O)(=O)CCC)C(N)=S.
What is the InChIKey of 2-(propylsulfonylamino)pentanethioamide?
The InChIKey is PEDNQYFQNQBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-3-5-7(8(9)13)10-14(11,12)6-4-2/h7,10H,3-6H2,1-2H3,(H2,9,13).
What are the key properties of 2-(propylsulfonylamino)pentanethioamide?
2-(propylsulfonylamino)pentanethioamide has a molecular weight of 238.38 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)pentanethioamide is sourced from PubChem (CID 61124649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).