4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide

C19H26N2O2S — CID 99696227

IUPAC4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2C)cc1
InChIInChI=1S/C19H26N2O2S/c1-13-7-6-8-19(14(13)2)16(4)21-15(3)17-9-11-18(12-10-17)24(22,23)20-5/h6-12,15-16,20-21H,1-5H3/t15-,16-/m1/s1
InChIKeyXFCJGVSPPGCBCM-HZPDHXFCSA-N
MW346.50 g/mol
LogP3.62
Rot. Bonds6

About 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide

4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide (PubChem CID 99696227) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
PubChem CID99696227
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2C)cc1
InChIInChI=1S/C19H26N2O2S/c1-13-7-6-8-19(14(13)2)16(4)21-15(3)17-9-11-18(12-10-17)24(22,23)20-5/h6-12,15-16,20-21H,1-5H3/t15-,16-/m1/s1
InChIKeyXFCJGVSPPGCBCM-HZPDHXFCSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
CID 115705431
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
CID 43099417
4-[(1S)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99719075
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
CID 100621234
N-[5-[(1S)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-2-methoxyphenyl]acetamide
CID 97232152
4-[(1S)-1-[[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 97333724
3-[(1S)-1-[(2,3-dimethylphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 95178250
2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144
1-(4-bromophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81373795
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
CID 43790317

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide (CID 99696227) is 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc(C)c2C)cc1.
What is the InChIKey of 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
The InChIKey is XFCJGVSPPGCBCM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-13-7-6-8-19(14(13)2)16(4)21-15(3)17-9-11-18(12-10-17)24(22,23)20-5/h6-12,15-16,20-21H,1-5H3/t15-,16-/m1/s1.
What are the key properties of 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide?
4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 99696227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).