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

C16H25ClN2OS — CID 120573821

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCc1ccc(C)c(SCC(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C16H24N2OS.ClH/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);1H
InChIKeyUYKTYAVZEMXSLV-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.07
Rot. Bonds4

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

2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (PubChem CID 120573821) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
PubChem CID120573821
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
SMILESCc1ccc(C)c(SCC(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C16H24N2OS.ClH/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);1H
InChIKeyUYKTYAVZEMXSLV-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.07
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
CID 120573822
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
2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
CID 120574172
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
3-acetamido-3-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576079
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
2-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573566
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 120574102

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride (CID 120573821) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride is Cc1ccc(C)c(SCC(=O)NC2CCCNC2C)c1.Cl.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
The InChIKey is UYKTYAVZEMXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/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);1H.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride?
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.07, 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;hydrochloride is sourced from PubChem (CID 120573821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).