2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride

C10H18ClN3S — CID 72716573

IUPAC2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
SMILESCl.Cn1ccnc1SCC1CCCCN1
InChIInChI=1S/C10H17N3S.ClH/c1-13-7-6-12-10(13)14-8-9-4-2-3-5-11-9;/h6-7,9,11H,2-5,8H2,1H3;1H
InChIKeyREUOJXHAWRTYJZ-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.08
Rot. Bonds3

About 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride

2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride (PubChem CID 72716573) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
PubChem CID72716573
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
SMILESCl.Cn1ccnc1SCC1CCCCN1
InChIInChI=1S/C10H17N3S.ClH/c1-13-7-6-12-10(13)14-8-9-4-2-3-5-11-9;/h6-7,9,11H,2-5,8H2,1H3;1H
InChIKeyREUOJXHAWRTYJZ-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-ylmethylsulfanyl)-1-methylimidazole;hydrochloride
CID 86262217
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
CID 84667853
1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one
CID 62939407
1-cyclopentyl-2-(1-methylimidazol-2-yl)sulfanylethanone
CID 115648629
3,4-dimethyl-5-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]-1,2,4-triazole
CID 102820369
1-methyl-N-(piperidin-2-ylmethyl)-N-propylimidazol-2-amine
CID 106642484
N-methyl-2-(1-methylimidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106635225
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 94939254
4-cyclopropyl-3-(piperidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 62882916
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
CID 97162664

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride?
The IUPAC name of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride (CID 72716573) is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride is Cl.Cn1ccnc1SCC1CCCCN1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride?
The InChIKey is REUOJXHAWRTYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S.ClH/c1-13-7-6-12-10(13)14-8-9-4-2-3-5-11-9;/h6-7,9,11H,2-5,8H2,1H3;1H.
What are the key properties of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride?
2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride has a molecular weight of 247.79 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride is sourced from PubChem (CID 72716573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).