methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C22H29N2OS+ — CID 8680892

IUPACmethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCSc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H28N2OS/c1-23(21-10-6-8-18-7-4-5-9-20(18)21)16-22(25)24(2)15-17-11-13-19(26-3)14-12-17/h4-5,7,9,11-14,21H,6,8,10,15-16H2,1-3H3/p+1/t21-/m0/s1
InChIKeyOMEPDXZEFKWOOB-NRFANRHFSA-O
MW369.55 g/mol
LogP2.96
Rot. Bonds6

About methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 8680892) has the molecular formula C22H29N2OS+ and a molecular weight of 369.55 g/mol. Its IUPAC name is methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Namemethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID8680892
Molecular FormulaC22H29N2OS+
Molecular Weight369.55 g/mol
Exact Mass369.20
IUPAC Namemethyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESCSc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CCCc3ccccc32)cc1
InChIInChI=1S/C22H28N2OS/c1-23(21-10-6-8-18-7-4-5-9-20(18)21)16-22(25)24(2)15-17-11-13-19(26-3)14-12-17/h4-5,7,9,11-14,21H,6,8,10,15-16H2,1-3H3/p+1/t21-/m0/s1
InChIKeyOMEPDXZEFKWOOB-NRFANRHFSA-O
XLogP2.96
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium with MolForge

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Related Compounds

methyl-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8680865
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
1-[(4-methylsulfanylphenyl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 60580789
4-[[methyl-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]methyl]benzoic acid
CID 119226040
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260307
methyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8681204
methyl-[2-(2-methylanilino)-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260623
2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 31548705
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8552327
[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9261107
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-sulfanylpropanamide
CID 115167959
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 134043061

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 8680892) is methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is CSc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CCCc3ccccc32)cc1.
What is the InChIKey of methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is OMEPDXZEFKWOOB-NRFANRHFSA-O. The full InChI is InChI=1S/C22H28N2OS/c1-23(21-10-6-8-18-7-4-5-9-20(18)21)16-22(25)24(2)15-17-11-13-19(26-3)14-12-17/h4-5,7,9,11-14,21H,6,8,10,15-16H2,1-3H3/p+1/t21-/m0/s1.
What are the key properties of methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 369.55 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 8680892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).