N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide

C13H20N2O3S — CID 64697646

IUPACN-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)10(3)13(16)15-12-7-5-4-6-11(12)8-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyIYNKRUALIBOODW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide

N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 64697646) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID64697646
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H20N2O3S/c1-9(2)19(17,18)10(3)13(16)15-12-7-5-4-6-11(12)8-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyIYNKRUALIBOODW-UHFFFAOYSA-N
XLogP1.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
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N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
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N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
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CID 142823786
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
N-[2-(aminomethyl)phenyl]-2-(azocan-1-yl)propanamide
CID 43211808
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82941643
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
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CID 43571770

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide (CID 64697646) is N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is IYNKRUALIBOODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)19(17,18)10(3)13(16)15-12-7-5-4-6-11(12)8-14/h4-7,9-10H,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide?
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 284.38 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 64697646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).