cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone

C15H23N3OS — CID 71800874

IUPACcyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
SMILESCn1ccnc1SCC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C15H23N3OS/c1-17-10-7-16-15(17)20-11-12-5-8-18(9-6-12)14(19)13-3-2-4-13/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyCXBYZXHEEUMXOI-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.55
Rot. Bonds4

About cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone

cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone (PubChem CID 71800874) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
PubChem CID71800874
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Namecyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
SMILESCn1ccnc1SCC1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C15H23N3OS/c1-17-10-7-16-15(17)20-11-12-5-8-18(9-6-12)14(19)13-3-2-4-13/h7,10,12-13H,2-6,8-9,11H2,1H3
InChIKeyCXBYZXHEEUMXOI-UHFFFAOYSA-N
XLogP2.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone (CID 71800874) is cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone is Cn1ccnc1SCC1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
The InChIKey is CXBYZXHEEUMXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-17-10-7-16-15(17)20-11-12-5-8-18(9-6-12)14(19)13-3-2-4-13/h7,10,12-13H,2-6,8-9,11H2,1H3.
What are the key properties of cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone has a molecular weight of 293.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 71800874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).