2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide

C9H19N3O2S2 — CID 61124039

IUPAC2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCC(NS(=O)(=O)N1CCCCC1C)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-7-5-3-4-6-12(7)16(13,14)11-8(2)9(10)15/h7-8,11H,3-6H2,1-2H3,(H2,10,15)
InChIKeyDIZNTNHPAZWTBT-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds4

About 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide

2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide (PubChem CID 61124039) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
PubChem CID61124039
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCC(NS(=O)(=O)N1CCCCC1C)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-7-5-3-4-6-12(7)16(13,14)11-8(2)9(10)15/h7-8,11H,3-6H2,1-2H3,(H2,10,15)
InChIKeyDIZNTNHPAZWTBT-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

2-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 119031489
2-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 61825786
1-(2,2,2-Trifluoroethylsulfamoyl)piperidine-2-carbothioamide
CID 113637110
2-[(Dimethylsulfamoylamino)methyl]piperidine
CID 17791132
3-[Methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 28785106
(3R)-3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 28785501
(3S)-3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 28785503
(2R)-N-[2-(methanesulfonamido)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35326339
(2S)-N-[2-(methanesulfonamido)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35326344
N-[2-(methanesulfonamido)ethyl]-2-methylpiperidine-1-sulfonamide
CID 42955189
N-(3-aminopropyl)-N-ethyl-2-methylpiperidine-1-sulfonamide
CID 43136909
N-(3-aminopropyl)-2-methyl-N-propylpiperidine-1-sulfonamide
CID 43136932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide (CID 61124039) is 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide is CC(NS(=O)(=O)N1CCCCC1C)C(N)=S.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The InChIKey is DIZNTNHPAZWTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-7-5-3-4-6-12(7)16(13,14)11-8(2)9(10)15/h7-8,11H,3-6H2,1-2H3,(H2,10,15).
What are the key properties of 2-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
2-[(2-methylpiperidin-1-yl)sulfonylamino]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-[(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 61124039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).