(4-ethylsulfonyl-2-methylphenyl)methanamine

C10H15NO2S — CID 112594406

IUPAC(4-ethylsulfonyl-2-methylphenyl)methanamine
SMILESCCS(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C10H15NO2S/c1-3-14(12,13)10-5-4-9(7-11)8(2)6-10/h4-6H,3,7,11H2,1-2H3
InChIKeyNXVSKZJTPLLTMB-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.25
Rot. Bonds3

About (4-ethylsulfonyl-2-methylphenyl)methanamine

(4-ethylsulfonyl-2-methylphenyl)methanamine (PubChem CID 112594406) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (4-ethylsulfonyl-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylsulfonyl-2-methylphenyl)methanamine
PubChem CID112594406
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(4-ethylsulfonyl-2-methylphenyl)methanamine
SMILESCCS(=O)(=O)c1ccc(CN)c(C)c1
InChIInChI=1S/C10H15NO2S/c1-3-14(12,13)10-5-4-9(7-11)8(2)6-10/h4-6H,3,7,11H2,1-2H3
InChIKeyNXVSKZJTPLLTMB-UHFFFAOYSA-N
XLogP1.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 106919334
(2-methyl-4-piperidin-1-ylsulfonylphenyl)methanamine
CID 106919079
4-(aminomethyl)-3-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 106919184
[4-[(3,4-dimethylphenyl)sulfonylmethyl]-3-methylphenyl]methanamine
CID 114486133
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106919163
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 106919187
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
4-[4-(aminomethyl)-3-methylphenyl]sulfonylpiperazine-2,6-dione
CID 106919481
4-(aminomethyl)-N-cyclohexyl-N-ethyl-3-methylbenzenesulfonamide
CID 106919020

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonyl-2-methylphenyl)methanamine?
The IUPAC name of (4-ethylsulfonyl-2-methylphenyl)methanamine (CID 112594406) is (4-ethylsulfonyl-2-methylphenyl)methanamine.
What is the SMILES notation for (4-ethylsulfonyl-2-methylphenyl)methanamine?
The canonical SMILES for (4-ethylsulfonyl-2-methylphenyl)methanamine is CCS(=O)(=O)c1ccc(CN)c(C)c1.
What is the InChIKey of (4-ethylsulfonyl-2-methylphenyl)methanamine?
The InChIKey is NXVSKZJTPLLTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-14(12,13)10-5-4-9(7-11)8(2)6-10/h4-6H,3,7,11H2,1-2H3.
What are the key properties of (4-ethylsulfonyl-2-methylphenyl)methanamine?
(4-ethylsulfonyl-2-methylphenyl)methanamine has a molecular weight of 213.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonyl-2-methylphenyl)methanamine is sourced from PubChem (CID 112594406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).