3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide

C13H21N3O3S — CID 106275923

IUPAC3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)Cc1cccc(CN)c1)C(N)=O
InChIInChI=1S/C13H21N3O3S/c1-13(2,12(15)17)9-16-20(18,19)8-11-5-3-4-10(6-11)7-14/h3-6,16H,7-9,14H2,1-2H3,(H2,15,17)
InChIKeyBSLSWCHEHZFWIN-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.08
Rot. Bonds7

About 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide

3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide (PubChem CID 106275923) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide
PubChem CID106275923
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide
SMILESCC(C)(CNS(=O)(=O)Cc1cccc(CN)c1)C(N)=O
InChIInChI=1S/C13H21N3O3S/c1-13(2,12(15)17)9-16-20(18,19)8-11-5-3-4-10(6-11)7-14/h3-6,16H,7-9,14H2,1-2H3,(H2,15,17)
InChIKeyBSLSWCHEHZFWIN-UHFFFAOYSA-N
XLogP0.08
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-(2-methyl-2-methylsulfonylpropyl)methanesulfonamide
CID 79562254
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
2-[[3-(aminomethyl)phenyl]methylsulfonylamino]ethyl carbamate
CID 83211237
3-[[4-(aminomethyl)-2-chlorophenyl]sulfonylamino]-2,2-dimethylpropanamide
CID 106275955
1-[3-(aminomethyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 60979279
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
1-[3-(aminomethyl)phenyl]-N-cyclopropylmethanesulfonamide
CID 60978052
3-[(2-methoxy-2-methylpropyl)sulfamoylmethyl]benzenecarbothioamide
CID 104761760
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109
1-[3-(aminomethyl)phenyl]-N-(cyclopentylmethyl)methanesulfonamide
CID 54885869
[3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]methanamine
CID 107766927

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide (CID 106275923) is 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide is CC(C)(CNS(=O)(=O)Cc1cccc(CN)c1)C(N)=O.
What is the InChIKey of 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide?
The InChIKey is BSLSWCHEHZFWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(2,12(15)17)9-16-20(18,19)8-11-5-3-4-10(6-11)7-14/h3-6,16H,7-9,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide?
3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)phenyl]methylsulfonylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).