N-(3-piperidin-1-ylpropyl)thian-4-amine

C13H26N2S — CID 43394939

IUPACN-(3-piperidin-1-ylpropyl)thian-4-amine
SMILESC1CCN(CCCNC2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-8-15(9-3-1)10-4-7-14-13-5-11-16-12-6-13/h13-14H,1-12H2
InChIKeyOFAOISYMGLNRFK-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.35
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)thian-4-amine

N-(3-piperidin-1-ylpropyl)thian-4-amine (PubChem CID 43394939) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)thian-4-amine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)thian-4-amine
PubChem CID43394939
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-(3-piperidin-1-ylpropyl)thian-4-amine
SMILESC1CCN(CCCNC2CCSCC2)CC1
InChIInChI=1S/C13H26N2S/c1-2-8-15(9-3-1)10-4-7-14-13-5-11-16-12-6-13/h13-14H,1-12H2
InChIKeyOFAOISYMGLNRFK-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Piperidinyl)thiomorpholine dihydrochloride
CID 47000644
1-(Tetrahydro-2H-thiopyran-4-yl)piperazine dihydrochloride
CID 54759030
1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-amine
CID 45791253
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
3,3-difluoro-1-methyl-N-(thian-4-yl)piperidin-4-amine;ethane
CID 178688384
1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
1-Methyl-N-[3-(methylsulfanyl)propyl]piperidin-4-amine
CID 43216125
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
5,5,5-trifluoro-N-(2-thiomorpholin-3-ylethyl)pentan-1-amine
CID 113327730
[3-Fluoro-1-(thian-4-yl)piperidin-3-yl]methanamine
CID 115039144
N-(thian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115603238
N-(thian-4-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115719866

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)thian-4-amine?
The IUPAC name of N-(3-piperidin-1-ylpropyl)thian-4-amine (CID 43394939) is N-(3-piperidin-1-ylpropyl)thian-4-amine.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)thian-4-amine?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)thian-4-amine is C1CCN(CCCNC2CCSCC2)CC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)thian-4-amine?
The InChIKey is OFAOISYMGLNRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-2-8-15(9-3-1)10-4-7-14-13-5-11-16-12-6-13/h13-14H,1-12H2.
What are the key properties of N-(3-piperidin-1-ylpropyl)thian-4-amine?
N-(3-piperidin-1-ylpropyl)thian-4-amine has a molecular weight of 242.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)thian-4-amine is sourced from PubChem (CID 43394939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).