3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide

C10H16N2O2S3 — CID 55101734

IUPAC3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C10H16N2O2S3/c1-3-8(6-9(11)15)12-17(13,14)10-5-4-7(2)16-10/h4-5,8,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyATZKYPXHHYXGES-UHFFFAOYSA-N
MW292.45 g/mol
LogP1.79
Rot. Bonds6

About 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide

3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide (PubChem CID 55101734) has the molecular formula C10H16N2O2S3 and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide.

Molecular Properties

Compound Name3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
PubChem CID55101734
Molecular FormulaC10H16N2O2S3
Molecular Weight292.45 g/mol
Exact Mass292.04
IUPAC Name3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C10H16N2O2S3/c1-3-8(6-9(11)15)12-17(13,14)10-5-4-7(2)16-10/h4-5,8,12H,3,6H2,1-2H3,(H2,11,15)
InChIKeyATZKYPXHHYXGES-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromobutan-2-yl)-5-methylthiophene-2-sulfonamide
CID 114298402
N-hex-5-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 115650486
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839
3-[(5-ethylthiophen-2-yl)sulfonylamino]butanethioamide
CID 62093885
3-[(3-bromophenyl)sulfonylamino]pentanethioamide
CID 55101638
3-[(2,5-dibromo-4-methylphenyl)sulfonylamino]pentanethioamide
CID 81327479
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 62652720
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
5-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 59255563
N-hex-1-yn-3-yl-5-methylthiophene-2-sulfonamide
CID 106898897
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
(2R)-3-methyl-2-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 42255745

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide?
The IUPAC name of 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide (CID 55101734) is 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide.
What is the SMILES notation for 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide?
The canonical SMILES for 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide is CCC(CC(N)=S)NS(=O)(=O)c1ccc(C)s1.
What is the InChIKey of 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide?
The InChIKey is ATZKYPXHHYXGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S3/c1-3-8(6-9(11)15)12-17(13,14)10-5-4-7(2)16-10/h4-5,8,12H,3,6H2,1-2H3,(H2,11,15).
What are the key properties of 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide?
3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide has a molecular weight of 292.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylthiophen-2-yl)sulfonylamino]pentanethioamide is sourced from PubChem (CID 55101734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).