4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine

C8H15N3S — CID 84660245

IUPAC4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine
SMILESC1CNC(SC2CCNCC2)=N1
InChIInChI=1S/C8H15N3S/c1-3-9-4-2-7(1)12-8-10-5-6-11-8/h7,9H,1-6H2,(H,10,11)
InChIKeyXERPJTAYXMRFJJ-UHFFFAOYSA-N
MW185.30 g/mol
LogP0.43
Rot. Bonds1

About 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine

4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine (PubChem CID 84660245) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine
PubChem CID84660245
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine
SMILESC1CNC(SC2CCNCC2)=N1
InChIInChI=1S/C8H15N3S/c1-3-9-4-2-7(1)12-8-10-5-6-11-8/h7,9H,1-6H2,(H,10,11)
InChIKeyXERPJTAYXMRFJJ-UHFFFAOYSA-N
XLogP0.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
CID 13018883
2-(4-Piperidin-1-ylbutylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 169004886
2-(3-piperidin-1-ylpropylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169004908
1-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl]piperidine
CID 169004921
1-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]piperidine
CID 169004930
2-(2-Piperidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 169004943
2-(2-piperidin-1-ylethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169005148
2-(4-piperidin-1-ylbutylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169005178
2-(3-Piperidin-1-ylpropylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 169005247
4-ethyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43440180
5-Methyl-2-(piperazin-1-yl)-4,5-dihydrothiazole
CID 54595409

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine (CID 84660245) is 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine is C1CNC(SC2CCNCC2)=N1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine?
The InChIKey is XERPJTAYXMRFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-3-9-4-2-7(1)12-8-10-5-6-11-8/h7,9H,1-6H2,(H,10,11).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine?
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine has a molecular weight of 185.30 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine is sourced from PubChem (CID 84660245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).