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

C10H19N3S — CID 13018882

IUPAC1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
SMILESC1CCN(CCSC2=NCCN2)CC1
InChIInChI=1S/C10H19N3S/c1-2-6-13(7-3-1)8-9-14-10-11-4-5-12-10/h1-9H2,(H,11,12)
InChIKeyMBEOHXLVOXMWNG-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.16
Rot. Bonds3

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

1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine (PubChem CID 13018882) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
PubChem CID13018882
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
SMILESC1CCN(CCSC2=NCCN2)CC1
InChIInChI=1S/C10H19N3S/c1-2-6-13(7-3-1)8-9-14-10-11-4-5-12-10/h1-9H2,(H,11,12)
InChIKeyMBEOHXLVOXMWNG-UHFFFAOYSA-N
XLogP1.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride
CID 54595408
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
CID 13018883
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13018884
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]-4-methylpiperazine
CID 20213258
(2-Piperazin-1-yl-4,5-dihydro-1,3-thiazol-4-yl)methanamine
CID 67279516
2-(Piperazin-1-yl)-4,5-dihydrothiazole
CID 68680839
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)piperidine
CID 84660245
ethane;ethyl N-ethylpiperazine-1-carboximidothioate
CID 143991147
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]azepane
CID 155166764
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine?
The IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine (CID 13018882) is 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine?
The canonical SMILES for 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine is C1CCN(CCSC2=NCCN2)CC1.
What is the InChIKey of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine?
The InChIKey is MBEOHXLVOXMWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-6-13(7-3-1)8-9-14-10-11-4-5-12-10/h1-9H2,(H,11,12).
What are the key properties of 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine?
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine has a molecular weight of 213.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine is sourced from PubChem (CID 13018882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).