3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide

C12H25N3O2S2 — CID 54987377

IUPAC3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H25N3O2S2/c1-4-14(9-10(2)12(13)18)19(16,17)15-8-6-5-7-11(15)3/h10-11H,4-9H2,1-3H3,(H2,13,18)
InChIKeyZUGCAGBWVHKYKY-UHFFFAOYSA-N
MW307.48 g/mol
LogP1.35
Rot. Bonds6

About 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide

3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide (PubChem CID 54987377) has the molecular formula C12H25N3O2S2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide.

Molecular Properties

Compound Name3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
PubChem CID54987377
Molecular FormulaC12H25N3O2S2
Molecular Weight307.48 g/mol
Exact Mass307.14
IUPAC Name3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
SMILESCCN(CC(C)C(N)=S)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H25N3O2S2/c1-4-14(9-10(2)12(13)18)19(16,17)15-8-6-5-7-11(15)3/h10-11H,4-9H2,1-3H3,(H2,13,18)
InChIKeyZUGCAGBWVHKYKY-UHFFFAOYSA-N
XLogP1.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 51.35
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

3-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
3-[Methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 28785106
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
3-[Methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 43210886
3-[Methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 43210887
2-Methyl-3-(2-methylpiperidin-1-yl)propanethioamide
CID 43367636
2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 53522630
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987328
3-[Ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987376
N-(3-amino-2-methylpropyl)-N-ethyl-2-methylpiperidine-1-sulfonamide
CID 54987455
3-[Ethyl-[methyl(propan-2-yl)sulfamoyl]amino]-2-methylpropanethioamide
CID 54987470
3-[Ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54988018

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide?
The IUPAC name of 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide (CID 54987377) is 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide.
What is the SMILES notation for 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide?
The canonical SMILES for 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide is CCN(CC(C)C(N)=S)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide?
The InChIKey is ZUGCAGBWVHKYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S2/c1-4-14(9-10(2)12(13)18)19(16,17)15-8-6-5-7-11(15)3/h10-11H,4-9H2,1-3H3,(H2,13,18).
What are the key properties of 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide?
3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide has a molecular weight of 307.48 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide is sourced from PubChem (CID 54987377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).