N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide

C14H22N2O3S — CID 64698213

IUPACN-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)10-20(18,19)8-7-14(17)16-13-5-3-12(9-15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyPSKKDDSXVVPBQU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds7

About N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide

N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide (PubChem CID 64698213) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
PubChem CID64698213
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
SMILESCC(C)CS(=O)(=O)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-11(2)10-20(18,19)8-7-14(17)16-13-5-3-12(9-15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyPSKKDDSXVVPBQU-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
CID 64696802
N-(4-aminophenyl)-3-(2-methylbutylsulfonyl)propanamide
CID 107751605
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide
CID 47038208
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
CID 17312270
N-[4-(aminomethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277586
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide (CID 64698213) is N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide is CC(C)CS(=O)(=O)CCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide?
The InChIKey is PSKKDDSXVVPBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(2)10-20(18,19)8-7-14(17)16-13-5-3-12(9-15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide?
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide is sourced from PubChem (CID 64698213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).