3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide

C15H20N4O2S — CID 95306807

IUPAC3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide
SMILESCc1cnc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C15H20N4O2S/c1-11-8-18-14(9-17-11)10-19(3)12(2)13-5-4-6-15(7-13)22(16,20)21/h4-9,12H,10H2,1-3H3,(H2,16,20,21)/t12-/m1/s1
InChIKeyIERWCCNKHFUIQC-GFCCVEGCSA-N
MW320.42 g/mol
LogP1.63
Rot. Bonds5

About 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide

3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide (PubChem CID 95306807) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide
PubChem CID95306807
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide
SMILESCc1cnc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cn1
InChIInChI=1S/C15H20N4O2S/c1-11-8-18-14(9-17-11)10-19(3)12(2)13-5-4-6-15(7-13)22(16,20)21/h4-9,12H,10H2,1-3H3,(H2,16,20,21)/t12-/m1/s1
InChIKeyIERWCCNKHFUIQC-GFCCVEGCSA-N
XLogP1.63
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1S)-1-[[4-(ethylamino)-2-pyridinyl]methyl-methylamino]ethyl]benzenesulfonamide
CID 97099988
3-[1-[2-hydroxybutyl(methyl)amino]ethyl]benzenesulfonamide
CID 111544265
3-[(1R)-1-[methyl-[(2-nitrophenyl)methyl]amino]ethyl]benzenesulfonamide
CID 94752505
2-[[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 146134889
(2E,4E)-N-methyl-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]hexa-2,4-dienamide
CID 95333326
3-[1-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
CID 75472623
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide
CID 51135786
2-(2,4-dimethylphenoxy)-N-methyl-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 166187865
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 95336916
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
CID 71861048

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide (CID 95306807) is 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide is Cc1cnc(CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cn1.
What is the InChIKey of 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide?
The InChIKey is IERWCCNKHFUIQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-8-18-14(9-17-11)10-19(3)12(2)13-5-4-6-15(7-13)22(16,20)21/h4-9,12H,10H2,1-3H3,(H2,16,20,21)/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide?
3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 95306807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).