3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride

C12H18Cl2N2OS — CID 119500451

IUPAC3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
SMILESCNCCNC(=O)CCSc1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-14-7-8-15-12(16)6-9-17-11-5-3-2-4-10(11)13;/h2-5,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyQCMGLUGAYXGYFP-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.58
Rot. Bonds7

About 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride

3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride (PubChem CID 119500451) has the molecular formula C12H18Cl2N2OS and a molecular weight of 309.26 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
PubChem CID119500451
Molecular FormulaC12H18Cl2N2OS
Molecular Weight309.26 g/mol
Exact Mass308.05
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride
SMILESCNCCNC(=O)CCSc1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2OS.ClH/c1-14-7-8-15-12(16)6-9-17-11-5-3-2-4-10(11)13;/h2-5,14H,6-9H2,1H3,(H,15,16);1H
InChIKeyQCMGLUGAYXGYFP-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide
CID 119502265
2-[[2-[3-(2-chlorophenyl)sulfanylpropanoylamino]acetyl]amino]acetic acid
CID 43387535
3-(2-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60700895
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 2712554
N-[(2S)-1-aminopropan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide;hydrochloride
CID 120505086
2-[[3-(2-chlorophenyl)sulfanylpropanoylamino]methyl]-3-methylbutanoic acid
CID 65219946
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
3-(2-chlorophenyl)sulfanyl-N-(2-hydroxy-2-methylpentyl)propanamide
CID 103712971
N'-[3-(2-chlorophenyl)sulfanylpropanoyl]-2-methylpropanehydrazide
CID 78786049
3-(2-chlorophenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944601
3-(2-chlorophenyl)sulfanyl-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649606
4-(4-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]butanamide;hydrochloride
CID 119500449

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride (CID 119500451) is 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride is CNCCNC(=O)CCSc1ccccc1Cl.Cl.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
The InChIKey is QCMGLUGAYXGYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS.ClH/c1-14-7-8-15-12(16)6-9-17-11-5-3-2-4-10(11)13;/h2-5,14H,6-9H2,1H3,(H,15,16);1H.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride?
3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride has a molecular weight of 309.26 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-[2-(methylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119500451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).