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

C15H24N2O2S — CID 107767023

IUPACN-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
SMILESCC(C)C(C)S(=O)CCC(=O)Nc1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)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)
InChIKeyULNCMBZHLOVKRY-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.27
Rot. Bonds7

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

N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide (PubChem CID 107767023) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
PubChem CID107767023
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
SMILESCC(C)C(C)S(=O)CCC(=O)Nc1ccccc1CN
InChIInChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)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)
InChIKeyULNCMBZHLOVKRY-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
N-[2-(aminomethyl)phenyl]-3-pentylsulfinylpropanamide
CID 107766804
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[3-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide
CID 107767041
N-[2-(aminomethyl)phenyl]-4-(2-methylbutylsulfinyl)butanamide
CID 107767323
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfonyl)propanamide
CID 107766915
N-[2-(aminomethyl)phenyl]-2-(3-methylbutylsulfinyl)acetamide
CID 107767444
N-[2-(aminomethyl)phenyl]-3-(3-methoxypropylsulfinyl)propanamide
CID 81332822
N-[2-(aminomethyl)phenyl]-2-(2-methylpropylsulfinyl)propanamide
CID 81328761
N-[2-(aminomethyl)phenyl]-3-(cyclopentylmethylsulfinyl)propanamide
CID 81334230
N-[2-(aminomethyl)phenyl]-4-(2-methylpropylsulfonyl)butanamide
CID 64698214
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide (CID 107767023) is N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide is CC(C)C(C)S(=O)CCC(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide?
The InChIKey is ULNCMBZHLOVKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)12(3)20(19)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-ylsulfinyl)propanamide?
N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide has a molecular weight of 296.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-(3-methylbutan-2-ylsulfinyl)propanamide is sourced from PubChem (CID 107767023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).