[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone

C20H24N2OS — CID 119546478

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone
SMILESCNCC1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c1-21-15-16-11-13-22(14-12-16)20(23)18-9-5-6-10-19(18)24-17-7-3-2-4-8-17/h2-10,16,21H,11-15H2,1H3
InChIKeyJNKSQWPISLTNFM-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.91
Rot. Bonds5

About [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone

[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone (PubChem CID 119546478) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone
PubChem CID119546478
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone
SMILESCNCC1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1
InChIInChI=1S/C20H24N2OS/c1-21-15-16-11-13-22(14-12-16)20(23)18-9-5-6-10-19(18)24-17-7-3-2-4-8-17/h2-10,16,21H,11-15H2,1H3
InChIKeyJNKSQWPISLTNFM-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(4-methylpiperazin-1-yl)-(2-phenylsulfanylphenyl)methanone
CID 827133
[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
(2-hydroxy-3-methylphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248844
(1-oxo-1,4-thiazinan-4-yl)-(2-phenylsulfanylphenyl)methanone
CID 71998661
(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 81461895
N-(2-methoxyethyl)-2-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]sulfanylacetamide
CID 119540040
[3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 119540166

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone (CID 119546478) is [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone is CNCC1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone?
The InChIKey is JNKSQWPISLTNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-21-15-16-11-13-22(14-12-16)20(23)18-9-5-6-10-19(18)24-17-7-3-2-4-8-17/h2-10,16,21H,11-15H2,1H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone?
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone has a molecular weight of 340.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(2-phenylsulfanylphenyl)methanone is sourced from PubChem (CID 119546478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).