1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone

C11H17N3OS — CID 125144377

IUPAC1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
SMILESCSC[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-16-7-9-3-2-4-14(6-9)11(15)10-5-12-8-13-10/h5,8-9H,2-4,6-7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyZQTRYZNMVKTWBL-SECBINFHSA-N
MW239.34 g/mol
LogP1.62
Rot. Bonds3

About 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone

1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 125144377) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID125144377
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
SMILESCSC[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1
InChIInChI=1S/C11H17N3OS/c1-16-7-9-3-2-4-14(6-9)11(15)10-5-12-8-13-10/h5,8-9H,2-4,6-7H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyZQTRYZNMVKTWBL-SECBINFHSA-N
XLogP1.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazol-5-yl-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 125144378
[(3R)-3-(aminomethyl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 129371649
1H-imidazol-5-yl-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 89293635
(2-ethylpyrimidin-5-yl)-[3-(methylsulfanylmethyl)piperidin-1-yl]methanone
CID 74234380
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786
1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568032
2-[3-(methylsulfanylmethyl)piperidine-1-carbonyl]benzoic acid
CID 121498037
1-[4-[(3S)-3-(methylsulfanylmethyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 97444747
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 42454203
1H-imidazol-5-yl-[3-(trifluoromethoxymethyl)azetidin-1-yl]methanone
CID 163279465
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
2-[1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62691270

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone (CID 125144377) is 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone is CSC[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZQTRYZNMVKTWBL-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-16-7-9-3-2-4-14(6-9)11(15)10-5-12-8-13-10/h5,8-9H,2-4,6-7H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone?
1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 239.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[(3R)-3-(methylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125144377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).