3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide

C15H26N2O3S — CID 106079964

IUPAC3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OC)ccc1C
InChIInChI=1S/C15H26N2O3S/c1-6-16-10-13-9-14(8-7-12(13)2)21(18,19)17-11-15(3,4)20-5/h7-9,16-17H,6,10-11H2,1-5H3
InChIKeyOLMSCTSTONSONZ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.81
Rot. Bonds8

About 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide

3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide (PubChem CID 106079964) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
PubChem CID106079964
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OC)ccc1C
InChIInChI=1S/C15H26N2O3S/c1-6-16-10-13-9-14(8-7-12(13)2)21(18,19)17-11-15(3,4)20-5/h7-9,16-17H,6,10-11H2,1-5H3
InChIKeyOLMSCTSTONSONZ-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
N-(2-ethoxy-2-methylpropyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106086792
3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059124
3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide
CID 106074785
4-cyano-N-(2-methoxy-2-methylpropyl)-3-methylbenzenesulfonamide
CID 106833407
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
3-(ethylaminomethyl)-N-(1H-imidazol-5-ylmethyl)-4-methylbenzenesulfonamide
CID 106069649
4-amino-3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 113449858
3-bromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650781
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-methylsulfonylbenzenesulfonamide
CID 104760016
3-amino-4-methoxy-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758508

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide (CID 106079964) is 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide is CCNCc1cc(S(=O)(=O)NCC(C)(C)OC)ccc1C.
What is the InChIKey of 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
The InChIKey is OLMSCTSTONSONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-16-10-13-9-14(8-7-12(13)2)21(18,19)17-11-15(3,4)20-5/h7-9,16-17H,6,10-11H2,1-5H3.
What are the key properties of 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide?
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106079964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).