N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride

C10H14Cl2N2OS — CID 119383840

IUPACN-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
SMILESCl.NCCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS.ClH/c11-8-3-1-2-4-9(8)15-7-10(14)13-6-5-12;/h1-4H,5-7,12H2,(H,13,14);1H
InChIKeyNWJGMCCVHCIKJV-UHFFFAOYSA-N
MW281.21 g/mol
LogP1.93
Rot. Bonds5

About N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride

N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride (PubChem CID 119383840) has the molecular formula C10H14Cl2N2OS and a molecular weight of 281.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
PubChem CID119383840
Molecular FormulaC10H14Cl2N2OS
Molecular Weight281.21 g/mol
Exact Mass280.02
IUPAC NameN-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
SMILESCl.NCCNC(=O)CSc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS.ClH/c11-8-3-1-2-4-9(8)15-7-10(14)13-6-5-12;/h1-4H,5-7,12H2,(H,13,14);1H
InChIKeyNWJGMCCVHCIKJV-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
2-(2-chlorophenyl)sulfanyl-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862035
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
2-(2-chlorophenyl)sulfanyl-N-(2,3-dihydroxypropyl)acetamide
CID 66176005
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119607296
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392699

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride (CID 119383840) is N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride is Cl.NCCNC(=O)CSc1ccccc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
The InChIKey is NWJGMCCVHCIKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS.ClH/c11-8-3-1-2-4-9(8)15-7-10(14)13-6-5-12;/h1-4H,5-7,12H2,(H,13,14);1H.
What are the key properties of N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride has a molecular weight of 281.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119383840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).