N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride

C11H16Cl2N2OS — CID 120507413

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CSc1ccccc1Cl.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-8(6-13)14-11(15)7-16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyBPWLMFRPUWSDGV-QRPNPIFTSA-N
MW295.23 g/mol
LogP2.32
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride (PubChem CID 120507413) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.23 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
PubChem CID120507413
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.23 g/mol
Exact Mass294.04
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CSc1ccccc1Cl.Cl
InChIInChI=1S/C11H15ClN2OS.ClH/c1-8(6-13)14-11(15)7-16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1
InChIKeyBPWLMFRPUWSDGV-QRPNPIFTSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119607296
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
N-[3-(aminomethyl)pentan-3-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119570398
2-(2-chlorophenyl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7760987
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)propanamide
CID 110833172
N-[(2S)-1-aminopropan-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 120506197
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
CID 79194235
2-(5-amino-2-chlorophenyl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 79134546

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride (CID 120507413) is N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride is C[C@@H](CN)NC(=O)CSc1ccccc1Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
The InChIKey is BPWLMFRPUWSDGV-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H15ClN2OS.ClH/c1-8(6-13)14-11(15)7-16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride has a molecular weight of 295.23 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride is sourced from PubChem (CID 120507413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).