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

C11H23N3O2S2 — CID 54992494

IUPAC3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCCN(CCC(N)=S)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H23N3O2S2/c1-3-13(9-6-11(12)17)18(15,16)14-7-4-10(2)5-8-14/h10H,3-9H2,1-2H3,(H2,12,17)
InChIKeySJTBSFXGSQORPS-UHFFFAOYSA-N
MW293.46 g/mol
LogP0.96
Rot. Bonds6

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

3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide (PubChem CID 54992494) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
PubChem CID54992494
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCCN(CCC(N)=S)S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C11H23N3O2S2/c1-3-13(9-6-11(12)17)18(15,16)14-7-4-10(2)5-8-14/h10H,3-9H2,1-2H3,(H2,12,17)
InChIKeySJTBSFXGSQORPS-UHFFFAOYSA-N
XLogP0.96
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 50.96
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

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-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
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

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The IUPAC name of 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide (CID 54992494) is 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide.
What is the SMILES notation for 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The canonical SMILES for 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide is CCN(CCC(N)=S)S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The InChIKey is SJTBSFXGSQORPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-3-13(9-6-11(12)17)18(15,16)14-7-4-10(2)5-8-14/h10H,3-9H2,1-2H3,(H2,12,17).
What are the key properties of 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide has a molecular weight of 293.46 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 54992494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).