N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide

C15H24N2O3S — CID 107766915

IUPACN-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)CCC(=O)Nc1ccccc1CN
InChIInChI=1S/C15H24N2O3S/c1-11(2)12(3)21(19,20)9-8-15(18)17-14-7-5-4-6-13(14)10-16/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyHMFYDQRNTOZRNZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.93
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide

N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide (PubChem CID 107766915) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
PubChem CID107766915
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
SMILESCC(C)C(C)S(=O)(=O)CCC(=O)Nc1ccccc1CN
InChIInChI=1S/C15H24N2O3S/c1-11(2)12(3)21(19,20)9-8-15(18)17-14-7-5-4-6-13(14)10-16/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyHMFYDQRNTOZRNZ-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-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767023
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[2-(aminomethyl)phenyl]-3-(2-methylpentoxy)propanamide
CID 103283160
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 63753752
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide
CID 64698633
N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
CID 81328761
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide (CID 107766915) is N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide is CC(C)C(C)S(=O)(=O)CCC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide?
The InChIKey is HMFYDQRNTOZRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)12(3)21(19,20)9-8-15(18)17-14-7-5-4-6-13(14)10-16/h4-7,11-12H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide?
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)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-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide is sourced from PubChem (CID 107766915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).