1,3-di(piperidin-1-yl)thiourea

C11H22N4S — CID 95931545

IUPAC1,3-di(piperidin-1-yl)thiourea
SMILESS=C(NN1CCCCC1)NN1CCCCC1
InChIInChI=1S/C11H22N4S/c16-11(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H2,(H2,12,13,16)
InChIKeyYFILNUHROFSBTQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.25
Rot. Bonds2

About 1,3-di(piperidin-1-yl)thiourea

1,3-di(piperidin-1-yl)thiourea (PubChem CID 95931545) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 1,3-di(piperidin-1-yl)thiourea.

Molecular Properties

Compound Name1,3-di(piperidin-1-yl)thiourea
PubChem CID95931545
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name1,3-di(piperidin-1-yl)thiourea
SMILESS=C(NN1CCCCC1)NN1CCCCC1
InChIInChI=1S/C11H22N4S/c16-11(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H2,(H2,12,13,16)
InChIKeyYFILNUHROFSBTQ-UHFFFAOYSA-N
XLogP1.25
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.25
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

Tetrasulfide, bis(piperidinothiocarbamoyl)
CID 3048474
(Piperidin-1-yl)thiourea
CID 12106605
N-(Piperidin-1-yl)hydrazinecarbothioamide
CID 40468289
Piperidinothiosemicarbazide
CID 119097594
piperidin-1-ylcarbamothioylsulfanyl N-piperidin-1-ylcarbamodithioate
CID 15210979
(1-Ethylpiperidin-1-ium-1-yl)thiourea
CID 18537278
1,2-Di(piperidin-1-yl)guanidine
CID 57005745
piperidin-1-ylazanium;N-piperidin-1-ylcarbamodithioate
CID 158652223
methylidene(piperidin-1-yl)azanium;N-piperidin-1-ylcarbamodithioate
CID 159214884
zinc bis(N-piperidin-1-ylcarbamodithioate)
CID 163659670
piperidin-1-yl N-piperidin-1-ylcarbamodithioate
CID 174351815
Copper;bis(piperidin-1-ylcarbamodithioic acid)
CID 174473209

Frequently Asked Questions

What is the IUPAC name of 1,3-di(piperidin-1-yl)thiourea?
The IUPAC name of 1,3-di(piperidin-1-yl)thiourea (CID 95931545) is 1,3-di(piperidin-1-yl)thiourea.
What is the SMILES notation for 1,3-di(piperidin-1-yl)thiourea?
The canonical SMILES for 1,3-di(piperidin-1-yl)thiourea is S=C(NN1CCCCC1)NN1CCCCC1.
What is the InChIKey of 1,3-di(piperidin-1-yl)thiourea?
The InChIKey is YFILNUHROFSBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c16-11(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-10H2,(H2,12,13,16).
What are the key properties of 1,3-di(piperidin-1-yl)thiourea?
1,3-di(piperidin-1-yl)thiourea has a molecular weight of 242.39 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(piperidin-1-yl)thiourea is sourced from PubChem (CID 95931545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).