3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride

C15H22BrClN2OS — CID 120573590

IUPAC3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCSc1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2OS.ClH/c1-11-13(6-4-9-17-11)18-15(19)8-10-20-14-7-3-2-5-12(14)16;/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3,(H,18,19);1H
InChIKeyGMNSIOGLUJSCHD-UHFFFAOYSA-N
MW393.78 g/mol
LogP3.61
Rot. Bonds5

About 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride

3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (PubChem CID 120573590) has the molecular formula C15H22BrClN2OS and a molecular weight of 393.78 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
PubChem CID120573590
Molecular FormulaC15H22BrClN2OS
Molecular Weight393.78 g/mol
Exact Mass392.03
IUPAC Name3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCSc1ccccc1Br.Cl
InChIInChI=1S/C15H21BrN2OS.ClH/c1-11-13(6-4-9-17-11)18-15(19)8-10-20-14-7-3-2-5-12(14)16;/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3,(H,18,19);1H
InChIKeyGMNSIOGLUJSCHD-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119425746
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
3-(3,4-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120574312
N-[4-(2-bromophenyl)sulfanylbutyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119781029
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573821
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120576470
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120573822
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
N-(2-methylpiperidin-3-yl)-2-(trifluoromethylsulfanyl)acetamide;hydrochloride
CID 120574102
N-(2-methylpiperidin-3-yl)-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120577920
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (CID 120573590) is 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride is CC1NCCCC1NC(=O)CCSc1ccccc1Br.Cl.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The InChIKey is GMNSIOGLUJSCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2OS.ClH/c1-11-13(6-4-9-17-11)18-15(19)8-10-20-14-7-3-2-5-12(14)16;/h2-3,5,7,11,13,17H,4,6,8-10H2,1H3,(H,18,19);1H.
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride has a molecular weight of 393.78 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120573590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).