[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

C15H23N3OS2 — CID 124742119

IUPAC[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H]1CSCCS1
InChIInChI=1S/C15H23N3OS2/c1-2-17-8-6-16-14(17)12-5-3-4-7-18(12)15(19)13-11-20-9-10-21-13/h6,8,12-13H,2-5,7,9-11H2,1H3/t12-,13+/m1/s1
InChIKeyXESVLSDXBCTGDD-OLZOCXBDSA-N
MW325.50 g/mol
LogP2.81
Rot. Bonds3

About [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124742119) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID124742119
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H]1CSCCS1
InChIInChI=1S/C15H23N3OS2/c1-2-17-8-6-16-14(17)12-5-3-4-7-18(12)15(19)13-11-20-9-10-21-13/h6,8,12-13H,2-5,7,9-11H2,1H3/t12-,13+/m1/s1
InChIKeyXESVLSDXBCTGDD-OLZOCXBDSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 139010291
1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 124890717
1-(1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79972065
(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 136539510
2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
CID 166184255
2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide
CID 154795501
4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 125140588
(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide
CID 124890719
2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 124740922
(2S)-2-(1-ethylimidazol-2-yl)-1-[2-(4-methylphenyl)ethyl]piperidine
CID 124888754
(2R)-2-(1-ethylimidazol-2-yl)-1-[(2S)-2-methoxypropyl]sulfonylpiperidine
CID 124890193
1,4-dithian-2-yl-(1-methylimidazol-2-yl)methanone
CID 79971152

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (CID 124742119) is [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is CCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H]1CSCCS1.
What is the InChIKey of [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XESVLSDXBCTGDD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-2-17-8-6-16-14(17)12-5-3-4-7-18(12)15(19)13-11-20-9-10-21-13/h6,8,12-13H,2-5,7,9-11H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 325.50 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124742119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).