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

C10H19N3S — CID 71399218

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine
SMILESCC1CCCCN1CSC1=NCCN1
InChIInChI=1S/C10H19N3S/c1-9-4-2-3-7-13(9)8-14-10-11-5-6-12-10/h9H,2-8H2,1H3,(H,11,12)
InChIKeyHMFWUNMVRGIAKJ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.51
Rot. Bonds2

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

1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine (PubChem CID 71399218) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine
PubChem CID71399218
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine
SMILESCC1CCCCN1CSC1=NCCN1
InChIInChI=1S/C10H19N3S/c1-9-4-2-3-7-13(9)8-14-10-11-5-6-12-10/h9H,2-8H2,1H3,(H,11,12)
InChIKeyHMFWUNMVRGIAKJ-UHFFFAOYSA-N
XLogP1.51
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
(2-methylpiperidin-1-yl)methanol
CID 67262865
N-[3-(2-methylpiperidin-1-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110914239
ethanol;(2S)-1-ethyl-2-methylpiperidine
CID 170618464
ethane;1-ethyl-2-methylazepane
CID 145020951
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
CID 28298
2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide
CID 172744713
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine (CID 71399218) is 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine is CC1CCCCN1CSC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine?
The InChIKey is HMFWUNMVRGIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9-4-2-3-7-13(9)8-14-10-11-5-6-12-10/h9H,2-8H2,1H3,(H,11,12).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine?
1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-2-methylpiperidine has a molecular weight of 213.35 g/mol, XLogP of 1.51, 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)-2-methylpiperidine is sourced from PubChem (CID 71399218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).