2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide

C11H23N3O2S2 — CID 61123655

IUPAC2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)N1CCCCC1C)C(N)=S
InChIInChI=1S/C11H23N3O2S2/c1-3-6-10(11(12)17)13-18(15,16)14-8-5-4-7-9(14)2/h9-10,13H,3-8H2,1-2H3,(H2,12,17)
InChIKeyBEVHEHAMUKLKJH-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.15
Rot. Bonds6

About 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide

2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide (PubChem CID 61123655) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide.

Molecular Properties

Compound Name2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide
PubChem CID61123655
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)N1CCCCC1C)C(N)=S
InChIInChI=1S/C11H23N3O2S2/c1-3-6-10(11(12)17)13-18(15,16)14-8-5-4-7-9(14)2/h9-10,13H,3-8H2,1-2H3,(H2,12,17)
InChIKeyBEVHEHAMUKLKJH-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.15
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 hydrochloride
CID 119031489
2-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 61825786
1-(2,2,2-Trifluoroethylsulfamoyl)piperidine-2-carbothioamide
CID 113637110
2-[(Dimethylsulfamoylamino)methyl]piperidine
CID 17791132
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
(2R)-N-[2-(methanesulfonamido)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35326339
(2S)-N-[2-(methanesulfonamido)ethyl]-2-methylpiperidine-1-sulfonamide
CID 35326344
N-[2-(methanesulfonamido)ethyl]-2-methylpiperidine-1-sulfonamide
CID 42955189
N-(3-aminopropyl)-N-ethyl-2-methylpiperidine-1-sulfonamide
CID 43136909
N-(3-aminopropyl)-2-methyl-N-propylpiperidine-1-sulfonamide
CID 43136932

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide?
The IUPAC name of 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide (CID 61123655) is 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide.
What is the SMILES notation for 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide?
The canonical SMILES for 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide is CCCC(NS(=O)(=O)N1CCCCC1C)C(N)=S.
What is the InChIKey of 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide?
The InChIKey is BEVHEHAMUKLKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-3-6-10(11(12)17)13-18(15,16)14-8-5-4-7-9(14)2/h9-10,13H,3-8H2,1-2H3,(H2,12,17).
What are the key properties of 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide?
2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide has a molecular weight of 293.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-1-yl)sulfonylamino]pentanethioamide is sourced from PubChem (CID 61123655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).