1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide

C15H26N2O3S — CID 106068296

IUPAC1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NC(CC)COC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-15(11-20-3)17-21(18,19)12-14-8-6-13(7-9-14)10-16-5-2/h6-9,15-17H,4-5,10-12H2,1-3H3
InChIKeyUZGVABHSTSRFAH-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.64
Rot. Bonds10

About 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide

1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide (PubChem CID 106068296) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
PubChem CID106068296
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide
SMILESCCNCc1ccc(CS(=O)(=O)NC(CC)COC)cc1
InChIInChI=1S/C15H26N2O3S/c1-4-15(11-20-3)17-21(18,19)12-14-8-6-13(7-9-14)10-16-5-2/h6-9,15-17H,4-5,10-12H2,1-3H3
InChIKeyUZGVABHSTSRFAH-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(ethylaminomethyl)phenyl]-N-(4-methoxybutyl)methanesulfonamide
CID 106054025
1-[4-(ethylaminomethyl)phenyl]-N-(4-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106080227
1-[4-(ethylaminomethyl)phenyl]-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 106077524
4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
CID 106068224
3-(ethylaminomethyl)-N-(1-methoxybutan-2-yl)-4-methylbenzenesulfonamide
CID 106068281
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 106016045
1-[4-(ethylaminomethyl)phenyl]-N-(3-methylpentan-3-yl)methanesulfonamide
CID 106331914
1-(4-nitrophenyl)-N-pentan-3-ylmethanesulfonamide
CID 47164690
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
4-(hexan-3-ylsulfamoylmethyl)benzoic acid
CID 62119651
N-(1-methoxybutan-2-yl)-3-(propylaminomethyl)benzenesulfonamide
CID 106068380
1-[4-(aminomethyl)phenyl]-N-(1-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106083889

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide?
The IUPAC name of 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide (CID 106068296) is 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide is CCNCc1ccc(CS(=O)(=O)NC(CC)COC)cc1.
What is the InChIKey of 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide?
The InChIKey is UZGVABHSTSRFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-15(11-20-3)17-21(18,19)12-14-8-6-13(7-9-14)10-16-5-2/h6-9,15-17H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide?
1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylaminomethyl)phenyl]-N-(1-methoxybutan-2-yl)methanesulfonamide is sourced from PubChem (CID 106068296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).