(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone

C14H19ClN2OS — CID 119562535

IUPAC(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(SC)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN2OS/c1-16-10-5-7-17(8-6-10)14(18)12-9-11(19-2)3-4-13(12)15/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyJNSJQVMQAQKZFG-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.89
Rot. Bonds3

About (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone

(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119562535) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119562535
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(SC)ccc2Cl)CC1
InChIInChI=1S/C14H19ClN2OS/c1-16-10-5-7-17(8-6-10)14(18)12-9-11(19-2)3-4-13(12)15/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyJNSJQVMQAQKZFG-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(bromomethyl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 80677819
(2,4-dichloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561393
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 62069294
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 82687777
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119485849
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(2-chloro-5-methylsulfanylphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119417080
(2-chloro-5-methylsulfanylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997116

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119562535) is (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(SC)ccc2Cl)CC1.
What is the InChIKey of (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is JNSJQVMQAQKZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-16-10-5-7-17(8-6-10)14(18)12-9-11(19-2)3-4-13(12)15/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone?
(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 298.84 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119562535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).