[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

C16H24N2OS — CID 79217054

IUPAC[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCNCCC1CCCCN1C(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H24N2OS/c1-17-11-10-14-5-3-4-12-18(14)16(19)13-6-8-15(20-2)9-7-13/h6-9,14,17H,3-5,10-12H2,1-2H3
InChIKeyGZIZLOWWTXOZDF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.01
Rot. Bonds5

About [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 79217054) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID79217054
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCNCCC1CCCCN1C(=O)c1ccc(SC)cc1
InChIInChI=1S/C16H24N2OS/c1-17-11-10-14-5-3-4-12-18(14)16(19)13-6-8-15(20-2)9-7-13/h6-9,14,17H,3-5,10-12H2,1-2H3
InChIKeyGZIZLOWWTXOZDF-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-(4-methylsulfanylbenzoyl)piperidin-2-yl]acetic acid
CID 93437286
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100880
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 114374414
[4-(difluoromethylsulfanyl)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650528
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
[2-(2-chloroethyl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 63393444
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883

Frequently Asked Questions

What is the IUPAC name of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 79217054) is [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone is CNCCC1CCCCN1C(=O)c1ccc(SC)cc1.
What is the InChIKey of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is GZIZLOWWTXOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-17-11-10-14-5-3-4-12-18(14)16(19)13-6-8-15(20-2)9-7-13/h6-9,14,17H,3-5,10-12H2,1-2H3.
What are the key properties of [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methylamino)ethyl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79217054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).