N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine

C10H15NO4S2 — CID 64675325

IUPACN-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
SMILESCNCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO4S2/c1-11-7-8-17(14,15)10-5-3-9(4-6-10)16(2,12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyQROBYODAXRNZEJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.08
Rot. Bonds5

About N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine

N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine (PubChem CID 64675325) has the molecular formula C10H15NO4S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
PubChem CID64675325
Molecular FormulaC10H15NO4S2
Molecular Weight277.37 g/mol
Exact Mass277.04
IUPAC NameN-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine
SMILESCNCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15NO4S2/c1-11-7-8-17(14,15)10-5-3-9(4-6-10)16(2,12)13/h3-6,11H,7-8H2,1-2H3
InChIKeyQROBYODAXRNZEJ-UHFFFAOYSA-N
XLogP0.08
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
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2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
N-methyl-N'-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 115201713
N-methyl-6-(4-methylsulfonylphenyl)sulfonylhexan-2-amine
CID 64675701
2-(4-methoxy-3-methylphenyl)sulfonyl-N-methylethanamine
CID 95456204
5-[2-(methylamino)ethylsulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 116853397
2-(3-bromo-4-methoxyphenyl)sulfonyl-N-methylethanamine
CID 116853368
N-methyl-2-(4-propylsulfonylphenoxy)ethanamine
CID 55065350
2,2-dimethyl-4-(4-methylsulfonylphenyl)sulfonylbutanenitrile
CID 65262937
N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine
CID 117327512
N-(4-methylsulfonylphenoxy)methanamine
CID 140501519

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine?
The IUPAC name of N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine (CID 64675325) is N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine.
What is the SMILES notation for N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine?
The canonical SMILES for N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine is CNCCS(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine?
The InChIKey is QROBYODAXRNZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S2/c1-11-7-8-17(14,15)10-5-3-9(4-6-10)16(2,12)13/h3-6,11H,7-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine?
N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine has a molecular weight of 277.37 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylsulfonylphenyl)sulfonylethanamine is sourced from PubChem (CID 64675325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).