[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine

C11H17NO4S2 — CID 64698409

IUPAC[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)CCS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C11H17NO4S2/c1-17(13,14)6-7-18(15,16)9-11-5-3-2-4-10(11)8-12/h2-5H,6-9,12H2,1H3
InChIKeyVLFYBZGOQALLSO-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.10
Rot. Bonds6

About [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine

[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine (PubChem CID 64698409) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
PubChem CID64698409
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine
SMILESCS(=O)(=O)CCS(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C11H17NO4S2/c1-17(13,14)6-7-18(15,16)9-11-5-3-2-4-10(11)8-12/h2-5H,6-9,12H2,1H3
InChIKeyVLFYBZGOQALLSO-UHFFFAOYSA-N
XLogP0.10
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylsulfonylethylsulfonylmethyl)aniline
CID 63660631
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
methyl 2-[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]acetate
CID 115461314
[2-(tert-butylsulfonylmethyl)phenyl]methanamine
CID 64697384
[2-fluoro-3-[(2-methylphenyl)methylsulfonylmethyl]phenyl]methanamine
CID 107120125
2-[[2-(aminomethyl)phenyl]methylsulfonylamino]-N-methylethanesulfonamide
CID 106335853
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
3-chloro-2-(2-methylsulfonylethylsulfonylmethyl)aniline
CID 55242259
2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
1-[2-(aminomethyl)phenyl]-N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65038831
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine
CID 107120185
1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879483

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine (CID 64698409) is [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine is CS(=O)(=O)CCS(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine?
The InChIKey is VLFYBZGOQALLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-17(13,14)6-7-18(15,16)9-11-5-3-2-4-10(11)8-12/h2-5H,6-9,12H2,1H3.
What are the key properties of [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine?
[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine has a molecular weight of 291.39 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfonylethylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 64698409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).