3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide

C9H19N3O2S2 — CID 28785106

IUPAC3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
SMILESCN(CCC(N)=S)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O2S2/c1-11(8-5-9(10)15)16(13,14)12-6-3-2-4-7-12/h2-8H2,1H3,(H2,10,15)
InChIKeySUWGWABSOHPURM-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.33
Rot. Bonds5

About 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide

3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide (PubChem CID 28785106) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide.

Molecular Properties

Compound Name3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
PubChem CID28785106
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
SMILESCN(CCC(N)=S)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O2S2/c1-11(8-5-9(10)15)16(13,14)12-6-3-2-4-7-12/h2-8H2,1H3,(H2,10,15)
InChIKeySUWGWABSOHPURM-UHFFFAOYSA-N
XLogP0.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
3-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
3-[Diethylsulfamoyl(methyl)amino]propanethioamide
CID 28785108
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
N-(3-aminopropyl)-N-ethylpiperidine-1-sulfonamide
CID 43136914
N-(3-Aminopropyl)-N-propyl-1-piperidinesulfonamide
CID 43136937
3-[Methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 43210886
3-[Methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 43210887
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987328
3-[Ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987376
3-[Ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987377
3-[Ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54988018

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide?
The IUPAC name of 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide (CID 28785106) is 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide.
What is the SMILES notation for 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide?
The canonical SMILES for 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide is CN(CCC(N)=S)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide?
The InChIKey is SUWGWABSOHPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-11(8-5-9(10)15)16(13,14)12-6-3-2-4-7-12/h2-8H2,1H3,(H2,10,15).
What are the key properties of 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide?
3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide has a molecular weight of 265.40 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide is sourced from PubChem (CID 28785106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).