1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide

C15H26N2O2S — CID 106053780

IUPAC1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)Cc1cccc(CNC)c1
InChIInChI=1S/C15H26N2O2S/c1-5-12(2)13(3)17-20(18,19)11-15-8-6-7-14(9-15)10-16-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyORQOUWIINZOEGV-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.26
Rot. Bonds8

About 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide

1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide (PubChem CID 106053780) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide
PubChem CID106053780
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)Cc1cccc(CNC)c1
InChIInChI=1S/C15H26N2O2S/c1-5-12(2)13(3)17-20(18,19)11-15-8-6-7-14(9-15)10-16-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyORQOUWIINZOEGV-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)phenyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 106055642
1-[3-(methylaminomethyl)phenyl]-N-(1-thiophen-3-ylethyl)methanesulfonamide
CID 106056569
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866
2-chloro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053736
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
1-[3-(methylaminomethyl)phenyl]-N-(2-methylsulfanylethyl)methanesulfonamide
CID 114141318
N-pentan-2-yl-1-[3-[(propan-2-ylamino)methyl]phenyl]methanesulfonamide
CID 106046672
1-(3-bromophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 100572279
1-(3-bromophenyl)-N-(3-methylbutan-2-yl)methanesulfonamide
CID 133250176
1-[3-(hydroxymethyl)phenyl]-N-pentan-3-ylmethanesulfonamide
CID 114132230
1-[3-(methylaminomethyl)phenyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 106030794

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide?
The IUPAC name of 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide (CID 106053780) is 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide?
The canonical SMILES for 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide is CCC(C)C(C)NS(=O)(=O)Cc1cccc(CNC)c1.
What is the InChIKey of 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide?
The InChIKey is ORQOUWIINZOEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-12(2)13(3)17-20(18,19)11-15-8-6-7-14(9-15)10-16-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3.
What are the key properties of 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide?
1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)phenyl]-N-(3-methylpentan-2-yl)methanesulfonamide is sourced from PubChem (CID 106053780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).