2-(piperidin-1-ylsulfonylamino)butanethioamide

C9H19N3O2S2 — CID 61124245

IUPAC2-(piperidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-2-8(9(10)15)11-16(13,14)12-6-4-3-5-7-12/h8,11H,2-7H2,1H3,(H2,10,15)
InChIKeyFGELHAIQKUJSPA-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.37
Rot. Bonds5

About 2-(piperidin-1-ylsulfonylamino)butanethioamide

2-(piperidin-1-ylsulfonylamino)butanethioamide (PubChem CID 61124245) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(piperidin-1-ylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-(piperidin-1-ylsulfonylamino)butanethioamide
PubChem CID61124245
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name2-(piperidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-2-8(9(10)15)11-16(13,14)12-6-4-3-5-7-12/h8,11H,2-7H2,1H3,(H2,10,15)
InChIKeyFGELHAIQKUJSPA-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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
CID 61825786
N-propan-2-ylpiperidine-1-sulfonamide
CID 57538873
3-(Dimethylsulfamoylamino)-1-methylpiperidine
CID 124006636
(3R)-3-(propan-2-ylamino)piperidine-1-sulfonamide
CID 170669793
(3R)-3-(diethylsulfamoylamino)piperidine
CID 28784895
(3S)-3-(diethylsulfamoylamino)piperidine
CID 28784897
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
3-(Diethylsulfamoylamino)piperidine
CID 43210400
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
N-(2-aminoethyl)-2-methylpiperidine-1-sulfonamide
CID 43210874

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylsulfonylamino)butanethioamide?
The IUPAC name of 2-(piperidin-1-ylsulfonylamino)butanethioamide (CID 61124245) is 2-(piperidin-1-ylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-(piperidin-1-ylsulfonylamino)butanethioamide?
The canonical SMILES for 2-(piperidin-1-ylsulfonylamino)butanethioamide is CCC(NS(=O)(=O)N1CCCCC1)C(N)=S.
What is the InChIKey of 2-(piperidin-1-ylsulfonylamino)butanethioamide?
The InChIKey is FGELHAIQKUJSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-2-8(9(10)15)11-16(13,14)12-6-4-3-5-7-12/h8,11H,2-7H2,1H3,(H2,10,15).
What are the key properties of 2-(piperidin-1-ylsulfonylamino)butanethioamide?
2-(piperidin-1-ylsulfonylamino)butanethioamide has a molecular weight of 265.40 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylsulfonylamino)butanethioamide is sourced from PubChem (CID 61124245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).