1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide

C15H26N2O2S2 — CID 106064765

IUPAC1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide
SMILESCCNCc1cccc(CS(=O)(=O)NCC(C)CSC)c1
InChIInChI=1S/C15H26N2O2S2/c1-4-16-10-14-6-5-7-15(8-14)12-21(18,19)17-9-13(2)11-20-3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyNTNVSMJTESPEAA-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.21
Rot. Bonds10

About 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide

1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide (PubChem CID 106064765) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide
PubChem CID106064765
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide
SMILESCCNCc1cccc(CS(=O)(=O)NCC(C)CSC)c1
InChIInChI=1S/C15H26N2O2S2/c1-4-16-10-14-6-5-7-15(8-14)12-21(18,19)17-9-13(2)11-20-3/h5-8,13,16-17H,4,9-12H2,1-3H3
InChIKeyNTNVSMJTESPEAA-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(ethylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 106063587
1-[3-(ethylaminomethyl)phenyl]-N-(3-methylsulfanylpropyl)methanesulfonamide
CID 106066257
N-(1-cyclobutylethyl)-1-[3-(ethylaminomethyl)phenyl]methanesulfonamide
CID 106084807
N-(3-methylsulfanylpropyl)-1-[3-(propylaminomethyl)phenyl]methanesulfonamide
CID 106066176
4-chloro-3-(ethylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064780
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
2-methyl-3-methylsulfanyl-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 63965278
3-(ethylaminomethyl)-N-(ethylsulfamoyl)aniline
CID 114810494
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
2-[(2-methyl-3-methylsulfanylpropyl)sulfamoylmethyl]benzenecarbothioamide
CID 63960014
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide?
The IUPAC name of 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide (CID 106064765) is 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide?
The canonical SMILES for 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide is CCNCc1cccc(CS(=O)(=O)NCC(C)CSC)c1.
What is the InChIKey of 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide?
The InChIKey is NTNVSMJTESPEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-4-16-10-14-6-5-7-15(8-14)12-21(18,19)17-9-13(2)11-20-3/h5-8,13,16-17H,4,9-12H2,1-3H3.
What are the key properties of 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide?
1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide has a molecular weight of 330.52 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylaminomethyl)phenyl]-N-(2-methyl-3-methylsulfanylpropyl)methanesulfonamide is sourced from PubChem (CID 106064765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).