1-(4-ethylphenyl)sulfonyl-N-methylmethanamine

C10H15NO2S — CID 117036131

IUPAC1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
SMILESCCc1ccc(S(=O)(=O)CNC)cc1
InChIInChI=1S/C10H15NO2S/c1-3-9-4-6-10(7-5-9)14(12,13)8-11-2/h4-7,11H,3,8H2,1-2H3
InChIKeyMZPWMLCFEVYOOL-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.20
Rot. Bonds4

About 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine

1-(4-ethylphenyl)sulfonyl-N-methylmethanamine (PubChem CID 117036131) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
PubChem CID117036131
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(4-ethylphenyl)sulfonyl-N-methylmethanamine
SMILESCCc1ccc(S(=O)(=O)CNC)cc1
InChIInChI=1S/C10H15NO2S/c1-3-9-4-6-10(7-5-9)14(12,13)8-11-2/h4-7,11H,3,8H2,1-2H3
InChIKeyMZPWMLCFEVYOOL-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-methylsulfonylbenzene
CID 143759723
2-(4-ethylphenyl)sulfonylacetonitrile
CID 7744986
1-ethyl-4-[2-(4-ethylphenyl)sulfonylprop-2-enylsulfonyl]benzene
CID 102143611
calcium bis(4-ethylbenzenesulfonate)
CID 87263292
1-ethyl-4-octylsulfonylbenzene
CID 123657292
(4-ethylphenyl)-methyl-methylidene-oxo-λ6-sulfane
CID 58248155
(4-ethylphenyl)-imino-methyl-oxo-λ6-sulfane
CID 147118244
3-(4-ethylphenyl)sulfonyl-2,2-dimethylpropan-1-amine
CID 116853143
3-(4-ethylphenyl)sulfonylpropanoate
CID 7425007
N,4-diethyl-N-methylbenzenesulfonamide
CID 142914245
(2Z)-2-[[(4-ethylphenyl)sulfonylmethylamino]methylidene]-3-hydroxycyclopentan-1-one
CID 170360863
(4-ethylphenyl)sulfonylformonitrile
CID 117036973

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine (CID 117036131) is 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine is CCc1ccc(S(=O)(=O)CNC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine?
The InChIKey is MZPWMLCFEVYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-9-4-6-10(7-5-9)14(12,13)8-11-2/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine?
1-(4-ethylphenyl)sulfonyl-N-methylmethanamine has a molecular weight of 213.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-N-methylmethanamine is sourced from PubChem (CID 117036131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).