2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide

C16H24N2OS — CID 120573822

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NC2CCCNC2C)c1
InChIInChI=1S/C16H24N2OS/c1-11-6-7-12(2)15(9-11)20-10-16(19)18-14-5-4-8-17-13(14)3/h6-7,9,13-14,17H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyCMSLWDXCOQDBIF-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.65
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide (PubChem CID 120573822) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
PubChem CID120573822
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)NC2CCCNC2C)c1
InChIInChI=1S/C16H24N2OS/c1-11-6-7-12(2)15(9-11)20-10-16(19)18-14-5-4-8-17-13(14)3/h6-7,9,13-14,17H,4-5,8,10H2,1-3H3,(H,18,19)
InChIKeyCMSLWDXCOQDBIF-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573821
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349
3-(3,4-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120574312
3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576079
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
CID 120574172
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120577866
2-(2,4-difluorophenyl)-N-[(2R,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517357
2-(2,4-difluorophenyl)-N-[(2S,3S)-2-methylpiperidin-3-yl]acetamide
CID 124517360

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide (CID 120573822) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide is Cc1ccc(C)c(SCC(=O)NC2CCCNC2C)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
The InChIKey is CMSLWDXCOQDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-6-7-12(2)15(9-11)20-10-16(19)18-14-5-4-8-17-13(14)3/h6-7,9,13-14,17H,4-5,8,10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide has a molecular weight of 292.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide is sourced from PubChem (CID 120573822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).