2-(1H-imidazol-2-ylsulfanylmethyl)piperidine

C9H15N3S — CID 84667853

IUPAC2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
SMILESc1c[nH]c(SCC2CCCCN2)n1
InChIInChI=1S/C9H15N3S/c1-2-4-10-8(3-1)7-13-9-11-5-6-12-9/h5-6,8,10H,1-4,7H2,(H,11,12)
InChIKeyZCQNSOJTDUFRGH-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.64
Rot. Bonds3

About 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine

2-(1H-imidazol-2-ylsulfanylmethyl)piperidine (PubChem CID 84667853) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
PubChem CID84667853
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(1H-imidazol-2-ylsulfanylmethyl)piperidine
SMILESc1c[nH]c(SCC2CCCCN2)n1
InChIInChI=1S/C9H15N3S/c1-2-4-10-8(3-1)7-13-9-11-5-6-12-9/h5-6,8,10H,1-4,7H2,(H,11,12)
InChIKeyZCQNSOJTDUFRGH-UHFFFAOYSA-N
XLogP1.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
2-(oxiran-2-ylmethylsulfanyl)-1H-imidazole
CID 107780486
2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
CID 72716573
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
2-(1H-imidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634461
4-chloro-5-methyl-2-[[(2R)-piperidin-2-yl]methylsulfanyl]pyrimidine
CID 97162664
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-3H-benzimidazol-5-amine
CID 102820465
4-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 136789522
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 91439730
2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
CID 107781623

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine?
The IUPAC name of 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine (CID 84667853) is 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine?
The canonical SMILES for 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine is c1c[nH]c(SCC2CCCCN2)n1.
What is the InChIKey of 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine?
The InChIKey is ZCQNSOJTDUFRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-4-10-8(3-1)7-13-9-11-5-6-12-9/h5-6,8,10H,1-4,7H2,(H,11,12).
What are the key properties of 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine?
2-(1H-imidazol-2-ylsulfanylmethyl)piperidine has a molecular weight of 197.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 84667853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).