2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide

C15H22N2OS — CID 9271687

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
SMILESCc1ccc(SCC(=O)NN2CCCCC2)cc1C
InChIInChI=1S/C15H22N2OS/c1-12-6-7-14(10-13(12)2)19-11-15(18)16-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyQCUNGESUTCWZSC-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.91
Rot. Bonds4

About 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide

2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide (PubChem CID 9271687) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
PubChem CID9271687
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
SMILESCc1ccc(SCC(=O)NN2CCCCC2)cc1C
InChIInChI=1S/C15H22N2OS/c1-12-6-7-14(10-13(12)2)19-11-15(18)16-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyQCUNGESUTCWZSC-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205311
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
2-(3,4-dimethylphenyl)sulfanyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 29318902
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 16543235
N-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 36553979
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
3-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 78791575
N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 18288638
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24980330
(2S)-2-[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]-N-ethylpropanamide
CID 8844305

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide (CID 9271687) is 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide is Cc1ccc(SCC(=O)NN2CCCCC2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide?
The InChIKey is QCUNGESUTCWZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-6-7-14(10-13(12)2)19-11-15(18)16-17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide has a molecular weight of 278.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide is sourced from PubChem (CID 9271687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).