2-(piperidin-1-ylsulfonylamino)pentanethioamide

C10H21N3O2S2 — CID 61122653

IUPAC2-(piperidin-1-ylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-2-6-9(10(11)16)12-17(14,15)13-7-4-3-5-8-13/h9,12H,2-8H2,1H3,(H2,11,16)
InChIKeyKYAORGYHAIYEIE-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.76
Rot. Bonds6

About 2-(piperidin-1-ylsulfonylamino)pentanethioamide

2-(piperidin-1-ylsulfonylamino)pentanethioamide (PubChem CID 61122653) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(piperidin-1-ylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name2-(piperidin-1-ylsulfonylamino)pentanethioamide
PubChem CID61122653
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-(piperidin-1-ylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C10H21N3O2S2/c1-2-6-9(10(11)16)12-17(14,15)13-7-4-3-5-8-13/h9,12H,2-8H2,1H3,(H2,11,16)
InChIKeyKYAORGYHAIYEIE-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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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)pentanethioamide?
The IUPAC name of 2-(piperidin-1-ylsulfonylamino)pentanethioamide (CID 61122653) is 2-(piperidin-1-ylsulfonylamino)pentanethioamide.
What is the SMILES notation for 2-(piperidin-1-ylsulfonylamino)pentanethioamide?
The canonical SMILES for 2-(piperidin-1-ylsulfonylamino)pentanethioamide is CCCC(NS(=O)(=O)N1CCCCC1)C(N)=S.
What is the InChIKey of 2-(piperidin-1-ylsulfonylamino)pentanethioamide?
The InChIKey is KYAORGYHAIYEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-2-6-9(10(11)16)12-17(14,15)13-7-4-3-5-8-13/h9,12H,2-8H2,1H3,(H2,11,16).
What are the key properties of 2-(piperidin-1-ylsulfonylamino)pentanethioamide?
2-(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 2-(piperidin-1-ylsulfonylamino)pentanethioamide is sourced from PubChem (CID 61122653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).