2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide

C9H19N3O2S2 — CID 61118853

IUPAC2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-9(2,8(10)15)11-16(13,14)12-6-4-3-5-7-12/h11H,3-7H2,1-2H3,(H2,10,15)
InChIKeyMBDCNADRVLOOMH-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds4

About 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide

2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide (PubChem CID 61118853) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide
PubChem CID61118853
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide
SMILESCC(C)(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-9(2,8(10)15)11-16(13,14)12-6-4-3-5-7-12/h11H,3-7H2,1-2H3,(H2,10,15)
InChIKeyMBDCNADRVLOOMH-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.37
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-tert-butylpiperidine-1-sulfonamide
CID 14493220
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
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
2-Methyl-3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 54991773
2-Methyl-3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide?
The IUPAC name of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide (CID 61118853) is 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide?
The canonical SMILES for 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide is CC(C)(NS(=O)(=O)N1CCCCC1)C(N)=S.
What is the InChIKey of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide?
The InChIKey is MBDCNADRVLOOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-9(2,8(10)15)11-16(13,14)12-6-4-3-5-7-12/h11H,3-7H2,1-2H3,(H2,10,15).
What are the key properties of 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide?
2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide has a molecular weight of 265.40 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(piperidin-1-ylsulfonylamino)propanethioamide is sourced from PubChem (CID 61118853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).