di(piperidin-1-yl)methanethione

C11H20N2S — CID 12525376

IUPACdi(piperidin-1-yl)methanethione
SMILESS=C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20N2S/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
InChIKeyUOOSIBHMBCFJRY-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.24
Rot. Bonds

About di(piperidin-1-yl)methanethione

di(piperidin-1-yl)methanethione (PubChem CID 12525376) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is di(piperidin-1-yl)methanethione.

Molecular Properties

Compound Namedi(piperidin-1-yl)methanethione
PubChem CID12525376
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Namedi(piperidin-1-yl)methanethione
SMILESS=C(N1CCCCC1)N1CCCCC1
InChIInChI=1S/C11H20N2S/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
InChIKeyUOOSIBHMBCFJRY-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Dipentamethylenethiuram disulfide
CID 7188
Dipentamethylenethiuram tetrasulfide
CID 61049
Dipiperidinomethane
CID 70151
1-Piperidinecarboxamide, N,N-diethylthio-
CID 99271
1-Ethyl-1-(piperidinomethyl)piperidinium iodide
CID 3056448
Vulkacit P
CID 80396
Bis-triazine
CID 191291
Methanedithione--1,1'-methylenedipiperidine (1/1)
CID 6455760
1,3-Bis(piperidin-1-ylmethyl)imidazolidine-2-thione
CID 272041
N,N'-Bis[(piperidin-1-yl)methyl]thiourea
CID 4336341
Di(piperidin-1-yl)methaneselone
CID 10967200
Sdonzwftuggbko-uhfffaoysa-
CID 12430939

Frequently Asked Questions

What is the IUPAC name of di(piperidin-1-yl)methanethione?
The IUPAC name of di(piperidin-1-yl)methanethione (CID 12525376) is di(piperidin-1-yl)methanethione.
What is the SMILES notation for di(piperidin-1-yl)methanethione?
The canonical SMILES for di(piperidin-1-yl)methanethione is S=C(N1CCCCC1)N1CCCCC1.
What is the InChIKey of di(piperidin-1-yl)methanethione?
The InChIKey is UOOSIBHMBCFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2.
What are the key properties of di(piperidin-1-yl)methanethione?
di(piperidin-1-yl)methanethione has a molecular weight of 212.36 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for di(piperidin-1-yl)methanethione is sourced from PubChem (CID 12525376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).