2-(3-aminopropylsulfonyl)-N-phenylpropanamide

C12H18N2O3S — CID 79015099

IUPAC2-(3-aminopropylsulfonyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)(=O)CCCN
InChIInChI=1S/C12H18N2O3S/c1-10(18(16,17)9-5-8-13)12(15)14-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,13H2,1H3,(H,14,15)
InChIKeyGGDQYPNBFYIMHF-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.78
Rot. Bonds6

About 2-(3-aminopropylsulfonyl)-N-phenylpropanamide

2-(3-aminopropylsulfonyl)-N-phenylpropanamide (PubChem CID 79015099) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-N-phenylpropanamide
PubChem CID79015099
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(3-aminopropylsulfonyl)-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)S(=O)(=O)CCCN
InChIInChI=1S/C12H18N2O3S/c1-10(18(16,17)9-5-8-13)12(15)14-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,13H2,1H3,(H,14,15)
InChIKeyGGDQYPNBFYIMHF-UHFFFAOYSA-N
XLogP0.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
CID 82180098
(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
CID 125141054
2-(3-aminopropylsulfonyl)-1-phenylpropan-1-one
CID 82180148
2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 82180102
N-(3-aminophenyl)-2-butylsulfonylpropanamide
CID 43615888
N-[3-(aminomethyl)phenyl]-2-pentylsulfonylpropanamide
CID 107766724
N-[4-(aminomethyl)phenyl]-2-(3-methylbutylsulfonyl)propanamide
CID 107767414
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
2-propylsulfonyl-N-pyridin-4-ylpropanamide
CID 60572366

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-N-phenylpropanamide?
The IUPAC name of 2-(3-aminopropylsulfonyl)-N-phenylpropanamide (CID 79015099) is 2-(3-aminopropylsulfonyl)-N-phenylpropanamide.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-N-phenylpropanamide?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)S(=O)(=O)CCCN.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-N-phenylpropanamide?
The InChIKey is GGDQYPNBFYIMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-10(18(16,17)9-5-8-13)12(15)14-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(3-aminopropylsulfonyl)-N-phenylpropanamide?
2-(3-aminopropylsulfonyl)-N-phenylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfonyl)-N-phenylpropanamide is sourced from PubChem (CID 79015099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).