N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide

C15H24N2O3S — CID 107767176

IUPACN-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-11(2)10-21(19,20)12(3)15(18)17-14-7-5-13(9-16)6-8-14/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyDGWUEZABCOGMQZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds7

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

N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide (PubChem CID 107767176) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
PubChem CID107767176
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide
SMILESCCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-11(2)10-21(19,20)12(3)15(18)17-14-7-5-13(9-16)6-8-14/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18)
InChIKeyDGWUEZABCOGMQZ-UHFFFAOYSA-N
XLogP1.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
N-(2-aminophenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751658
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
N-(3-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751663
N-[3-(aminomethyl)phenyl]-2-pentylsulfonylpropanamide
CID 107766724
2-but-2-enylsulfonyl-N-(4-ethylphenyl)propanamide
CID 76865501
(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
(2S)-2-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 79024483
N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
CID 107767224

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide (CID 107767176) is N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide is CCC(C)CS(=O)(=O)C(C)C(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide?
The InChIKey is DGWUEZABCOGMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-11(2)10-21(19,20)12(3)15(18)17-14-7-5-13(9-16)6-8-14/h5-8,11-12H,4,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide?
N-[4-(aminomethyl)phenyl]-2-(2-methylbutylsulfonyl)propanamide has a molecular weight of 312.44 g/mol, XLogP of 1.93, 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]-2-(2-methylbutylsulfonyl)propanamide is sourced from PubChem (CID 107767176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).