N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide

C13H20N2O3S — CID 82182752

IUPACN-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide
SMILESCC(c1ccccc1)S(=O)(=O)CCC(=O)NCCN
InChIInChI=1S/C13H20N2O3S/c1-11(12-5-3-2-4-6-12)19(17,18)10-7-13(16)15-9-8-14/h2-6,11H,7-10,14H2,1H3,(H,15,16)
InChIKeyUGCMYGOFOJDKHF-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.63
Rot. Bonds7

About N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide

N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide (PubChem CID 82182752) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide
PubChem CID82182752
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide
SMILESCC(c1ccccc1)S(=O)(=O)CCC(=O)NCCN
InChIInChI=1S/C13H20N2O3S/c1-11(12-5-3-2-4-6-12)19(17,18)10-7-13(16)15-9-8-14/h2-6,11H,7-10,14H2,1H3,(H,15,16)
InChIKeyUGCMYGOFOJDKHF-UHFFFAOYSA-N
XLogP0.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide
CID 61208870
3-amino-N-(3,3-diphenylpropyl)propanamide
CID 61260173
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
2-[3-(2-aminoethylamino)-3-oxopropyl]sulfonylacetic acid
CID 82182739
3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
CID 9302482
3-(4-chlorophenyl)sulfonyl-N-[(2S)-2-phenylpropyl]propanamide
CID 9302484
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
methyl 3-(3-amino-1-phenylpropyl)sulfonylpropanoate
CID 64697632
N-[2-(diethylamino)ethyl]-N'-[(1S)-1-phenylethyl]butanediamide
CID 41165153
7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide (CID 82182752) is N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide is CC(c1ccccc1)S(=O)(=O)CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide?
The InChIKey is UGCMYGOFOJDKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11(12-5-3-2-4-6-12)19(17,18)10-7-13(16)15-9-8-14/h2-6,11H,7-10,14H2,1H3,(H,15,16).
What are the key properties of N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide?
N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(1-phenylethylsulfonyl)propanamide is sourced from PubChem (CID 82182752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).