3-(piperidin-1-ylsulfonylamino)pentanethioamide

C10H21N3O2S2 — CID 55101686

IUPAC3-(piperidin-1-ylsulfonylamino)pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H21N3O2S2/c1-2-9(8-10(11)16)12-17(14,15)13-6-4-3-5-7-13/h9,12H,2-8H2,1H3,(H2,11,16)
InChIKeyTYUWEXKRDBNQMR-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.76
Rot. Bonds6

About 3-(piperidin-1-ylsulfonylamino)pentanethioamide

3-(piperidin-1-ylsulfonylamino)pentanethioamide (PubChem CID 55101686) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(piperidin-1-ylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name3-(piperidin-1-ylsulfonylamino)pentanethioamide
PubChem CID55101686
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name3-(piperidin-1-ylsulfonylamino)pentanethioamide
SMILESCCC(CC(N)=S)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H21N3O2S2/c1-2-9(8-10(11)16)12-17(14,15)13-6-4-3-5-7-13/h9,12H,2-8H2,1H3,(H2,11,16)
InChIKeyTYUWEXKRDBNQMR-UHFFFAOYSA-N
XLogP0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylsulfonylamino)pentanethioamide?
The IUPAC name of 3-(piperidin-1-ylsulfonylamino)pentanethioamide (CID 55101686) is 3-(piperidin-1-ylsulfonylamino)pentanethioamide.
What is the SMILES notation for 3-(piperidin-1-ylsulfonylamino)pentanethioamide?
The canonical SMILES for 3-(piperidin-1-ylsulfonylamino)pentanethioamide is CCC(CC(N)=S)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylsulfonylamino)pentanethioamide?
The InChIKey is TYUWEXKRDBNQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-2-9(8-10(11)16)12-17(14,15)13-6-4-3-5-7-13/h9,12H,2-8H2,1H3,(H2,11,16).
What are the key properties of 3-(piperidin-1-ylsulfonylamino)pentanethioamide?
3-(piperidin-1-ylsulfonylamino)pentanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylsulfonylamino)pentanethioamide is sourced from PubChem (CID 55101686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).