3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide

C10H21N3O2S2 — CID 28785103

IUPAC3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCC1CCN(S(=O)(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C10H21N3O2S2/c1-9-3-7-13(8-4-9)17(14,15)12(2)6-5-10(11)16/h9H,3-8H2,1-2H3,(H2,11,16)
InChIKeyBWGAPCMRJHNXEG-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.57
Rot. Bonds5

About 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide

3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide (PubChem CID 28785103) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
PubChem CID28785103
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCC1CCN(S(=O)(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C10H21N3O2S2/c1-9-3-7-13(8-4-9)17(14,15)12(2)6-5-10(11)16/h9H,3-8H2,1-2H3,(H2,11,16)
InChIKeyBWGAPCMRJHNXEG-UHFFFAOYSA-N
XLogP0.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-methylpiperidine-1-sulfonamide
CID 43243291
ethane;N-ethyl-4-methylpiperidine-1-sulfonamide
CID 145483516
3-(4-Methylpiperidin-1-yl)propanethioamide
CID 24707223
4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 28706833
N-(3-aminopropyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 28783229
N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide
CID 28785010
3-[Methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 28785106
1-Methylsulfonylpiperidine-4-carbothioamide
CID 39245467
1-Propylsulfonylpiperidine-4-carbothioamide
CID 39353656
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
1-Butylsulfonylpiperidine-4-carbothioamide
CID 39364305
N-(3-aminopropyl)-N-ethyl-4-methylpiperidine-1-sulfonamide
CID 43136913

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The IUPAC name of 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide (CID 28785103) is 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide.
What is the SMILES notation for 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The canonical SMILES for 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide is CC1CCN(S(=O)(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The InChIKey is BWGAPCMRJHNXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-9-3-7-13(8-4-9)17(14,15)12(2)6-5-10(11)16/h9H,3-8H2,1-2H3,(H2,11,16).
What are the key properties of 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 28785103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).