3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide

C10H21N3O2S2 — CID 55033380

IUPAC3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide
SMILESCC(CC(N)=S)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C10H21N3O2S2/c1-8(7-10(11)16)12-17(14,15)13-6-4-3-5-9(13)2/h8-9,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyHBIJGLBEALQIIC-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.76
Rot. Bonds5

About 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide

3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide (PubChem CID 55033380) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide.

Molecular Properties

Compound Name3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide
PubChem CID55033380
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide
SMILESCC(CC(N)=S)NS(=O)(=O)N1CCCCC1C
InChIInChI=1S/C10H21N3O2S2/c1-8(7-10(11)16)12-17(14,15)13-6-4-3-5-9(13)2/h8-9,12H,3-7H2,1-2H3,(H2,11,16)
InChIKeyHBIJGLBEALQIIC-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'}

Analyze 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
The IUPAC name of 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide (CID 55033380) is 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide.
What is the SMILES notation for 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
The canonical SMILES for 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide is CC(CC(N)=S)NS(=O)(=O)N1CCCCC1C.
What is the InChIKey of 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
The InChIKey is HBIJGLBEALQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-8(7-10(11)16)12-17(14,15)13-6-4-3-5-9(13)2/h8-9,12H,3-7H2,1-2H3,(H2,11,16).
What are the key properties of 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide?
3-[(2-methylpiperidin-1-yl)sulfonylamino]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 3-[(2-methylpiperidin-1-yl)sulfonylamino]butanethioamide is sourced from PubChem (CID 55033380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).