dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium

C19H25N2OS+ — CID 8937080

IUPACdimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium
SMILESCc1ccccc1SCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-15-9-7-8-12-18(15)23-14-19(22)20-17(13-21(2)3)16-10-5-4-6-11-16/h4-12,17H,13-14H2,1-3H3,(H,20,22)/p+1/t17-/m0/s1
InChIKeyYFOIQJQZWVFQSI-KRWDZBQOSA-O
MW329.49 g/mol
LogP2.09
Rot. Bonds7

About dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium

dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium (PubChem CID 8937080) has the molecular formula C19H25N2OS+ and a molecular weight of 329.49 g/mol. Its IUPAC name is dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium
PubChem CID8937080
Molecular FormulaC19H25N2OS+
Molecular Weight329.49 g/mol
Exact Mass329.17
IUPAC Namedimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium
SMILESCc1ccccc1SCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-15-9-7-8-12-18(15)23-14-19(22)20-17(13-21(2)3)16-10-5-4-6-11-16/h4-12,17H,13-14H2,1-3H3,(H,20,22)/p+1/t17-/m0/s1
InChIKeyYFOIQJQZWVFQSI-KRWDZBQOSA-O
XLogP2.09
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937161
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
N-[(2S)-1-hydroxybutan-2-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 93032378
[(2S)-2-[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938499
2-(2-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 9302261
5-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 82854309
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
[(2R)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-2-phenylethyl]-dimethylazanium
CID 8937610
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9218856
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium?
The IUPAC name of dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium (CID 8937080) is dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium.
What is the SMILES notation for dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium?
The canonical SMILES for dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium is Cc1ccccc1SCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1.
What is the InChIKey of dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium?
The InChIKey is YFOIQJQZWVFQSI-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H24N2OS/c1-15-9-7-8-12-18(15)23-14-19(22)20-17(13-21(2)3)16-10-5-4-6-11-16/h4-12,17H,13-14H2,1-3H3,(H,20,22)/p+1/t17-/m0/s1.
What are the key properties of dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium?
dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium has a molecular weight of 329.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2R)-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]azanium is sourced from PubChem (CID 8937080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).