3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide

C15H26N2O3S — CID 106068281

IUPAC3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(CC)COC)ccc1C
InChIInChI=1S/C15H26N2O3S/c1-5-14(11-20-4)17-21(18,19)15-8-7-12(3)13(9-15)10-16-6-2/h7-9,14,16-17H,5-6,10-11H2,1-4H3
InChIKeyROHPBTPHZUQSLA-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.81
Rot. Bonds9

About 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide

3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide (PubChem CID 106068281) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
PubChem CID106068281
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(CC)COC)ccc1C
InChIInChI=1S/C15H26N2O3S/c1-5-14(11-20-4)17-21(18,19)15-8-7-12(3)13(9-15)10-16-6-2/h7-9,14,16-17H,5-6,10-11H2,1-4H3
InChIKeyROHPBTPHZUQSLA-UHFFFAOYSA-N
XLogP1.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
3-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 106080626
3-(ethylaminomethyl)-N',N',4-trimethylbenzenesulfonohydrazide
CID 106074785
N-(1-methoxybutan-2-yl)-3-(propylaminomethyl)benzenesulfonamide
CID 106068380
3-(ethylaminomethyl)-4-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059124
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 106079964
3-(ethylaminomethyl)-4-fluoro-N-hexan-3-ylbenzenesulfonamide
CID 106055487
3-amino-4-bromo-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 115329434
3-chloro-4-fluoro-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 3821518
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
N-(1-methoxybutan-2-yl)-4-phenylbenzenesulfonamide
CID 3754148
1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 106068296

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide (CID 106068281) is 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide is CCNCc1cc(S(=O)(=O)NC(CC)COC)ccc1C.
What is the InChIKey of 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is ROHPBTPHZUQSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-14(11-20-4)17-21(18,19)15-8-7-12(3)13(9-15)10-16-6-2/h7-9,14,16-17H,5-6,10-11H2,1-4H3.
What are the key properties of 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide?
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 106068281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).