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

C9H17N3S — CID 71399219

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine
SMILESC1CCN(CSC2=NCCN2)CC1
InChIInChI=1S/C9H17N3S/c1-2-6-12(7-3-1)8-13-9-10-4-5-11-9/h1-8H2,(H,10,11)
InChIKeyLROCWOBQRHGPPD-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.12
Rot. Bonds2

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

1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine (PubChem CID 71399219) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine
PubChem CID71399219
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine
SMILESC1CCN(CSC2=NCCN2)CC1
InChIInChI=1S/C9H17N3S/c1-2-6-12(7-3-1)8-13-9-10-4-5-11-9/h1-8H2,(H,10,11)
InChIKeyLROCWOBQRHGPPD-UHFFFAOYSA-N
XLogP1.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine (CID 71399219) is 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine is C1CCN(CSC2=NCCN2)CC1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine?
The InChIKey is LROCWOBQRHGPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-2-6-12(7-3-1)8-13-9-10-4-5-11-9/h1-8H2,(H,10,11).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine?
1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine has a molecular weight of 199.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 71399219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).