(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone

C15H21NOS — CID 82553379

IUPAC(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone
SMILESCCSc1ccc(C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H21NOS/c1-3-18-14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeySVIBOIOSDHFAIJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.29
Rot. Bonds4

About (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone

(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone (PubChem CID 82553379) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone
PubChem CID82553379
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone
SMILESCCSc1ccc(C)cc1C(=O)C1CCNCC1
InChIInChI=1S/C15H21NOS/c1-3-18-14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3
InChIKeySVIBOIOSDHFAIJ-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylsulfanyl-5-methylphenyl)-pyrrolidin-2-ylmethanone
CID 82553377
(2-ethoxy-5-methylphenyl)-piperidin-4-ylmethanone
CID 62302314
(2-ethylsulfonyl-5-methylphenyl)-piperidin-4-ylmethanone
CID 82551237
(2,5-dimethylphenyl)-pyrrolidin-3-ylmethanone
CID 116568434
(1,5-dimethylindol-3-yl)-piperidin-4-ylmethanone
CID 82499713
(4-aminophenyl)-(2-ethylsulfanyl-5-methylphenyl)methanone
CID 82264961
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
piperidin-4-yl-(4-propylsulfanylphenyl)methanone
CID 82553748
2-(2,5-dimethylphenyl)-N-piperidin-4-ylacetamide
CID 62537679
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119776589
(5-ethoxy-2-methoxyphenyl)-piperidin-4-ylmethanone
CID 82553003

Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone?
The IUPAC name of (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone (CID 82553379) is (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone.
What is the SMILES notation for (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone?
The canonical SMILES for (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone is CCSc1ccc(C)cc1C(=O)C1CCNCC1.
What is the InChIKey of (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone?
The InChIKey is SVIBOIOSDHFAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c1-3-18-14-5-4-11(2)10-13(14)15(17)12-6-8-16-9-7-12/h4-5,10,12,16H,3,6-9H2,1-2H3.
What are the key properties of (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone?
(2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone has a molecular weight of 263.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanyl-5-methylphenyl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82553379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).