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

C14H22N2O3S — CID 64698633

IUPACN-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide
SMILESCCC(C)S(=O)(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)20(18,19)11(3)14(17)16-13-8-6-5-7-12(13)9-15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyRWSWCSRAIKRWTP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.69
Rot. Bonds6

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

N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide (PubChem CID 64698633) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide
PubChem CID64698633
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide
SMILESCCC(C)S(=O)(=O)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C14H22N2O3S/c1-4-10(2)20(18,19)11(3)14(17)16-13-8-6-5-7-12(13)9-15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyRWSWCSRAIKRWTP-UHFFFAOYSA-N
XLogP1.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328530
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
CID 81328761
N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
CID 43127359
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
CID 43571770
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107766915
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide (CID 64698633) is N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide is CCC(C)S(=O)(=O)C(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide?
The InChIKey is RWSWCSRAIKRWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10(2)20(18,19)11(3)14(17)16-13-8-6-5-7-12(13)9-15/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide?
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.69, 6 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-butan-2-ylsulfonylpropanamide is sourced from PubChem (CID 64698633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).