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

C10H21N3O2S2 — CID 61122682

IUPAC2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(C)(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-3-10(2,9(11)16)12-17(14,15)13-7-5-4-6-8-13/h12H,3-8H2,1-2H3,(H2,11,16)
InChIKeyOPQKIYYAFSLLFS-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.76
Rot. Bonds5

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

2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide (PubChem CID 61122682) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
PubChem CID61122682
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(C)(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-3-10(2,9(11)16)12-17(14,15)13-7-5-4-6-8-13/h12H,3-8H2,1-2H3,(H2,11,16)
InChIKeyOPQKIYYAFSLLFS-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.76
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-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
N-(2-methylbutan-2-yl)piperidine-1-sulfonamide
CID 126657702
N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 130342800
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
The IUPAC name of 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide (CID 61122682) is 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
The canonical SMILES for 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide is CCC(C)(NS(=O)(=O)N1CCCCC1)C(N)=S.
What is the InChIKey of 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
The InChIKey is OPQKIYYAFSLLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-3-10(2,9(11)16)12-17(14,15)13-7-5-4-6-8-13/h12H,3-8H2,1-2H3,(H2,11,16).
What are the key properties of 2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
2-methyl-2-(piperidin-1-ylsulfonylamino)butanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.76, 5 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)butanethioamide is sourced from PubChem (CID 61122682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).