2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide

C13H20N2O3S — CID 82180098

IUPAC2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)S(=O)(=O)CCCN
InChIInChI=1S/C13H20N2O3S/c1-10-6-3-4-7-12(10)15-13(16)11(2)19(17,18)9-5-8-14/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyGPBHHXRLJJRQIV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.09
Rot. Bonds6

About 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide

2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide (PubChem CID 82180098) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
PubChem CID82180098
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)S(=O)(=O)CCCN
InChIInChI=1S/C13H20N2O3S/c1-10-6-3-4-7-12(10)15-13(16)11(2)19(17,18)9-5-8-14/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyGPBHHXRLJJRQIV-UHFFFAOYSA-N
XLogP1.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropylsulfonyl)-N-(2,5-dimethylphenyl)propanamide
CID 82180102
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
2-(2-fluorophenyl)sulfonyl-N-(2-methylphenyl)propanamide
CID 86992971
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908
2-(3-aminopropylsulfonyl)-1-phenylpropan-1-one
CID 82180148
[(2S)-6-amino-1-(2-methylanilino)-1-oxohexan-2-yl]carbamic acid
CID 91260086
N-(4-amino-2-methylphenyl)-2-(3-methoxypropylsulfonyl)propanamide
CID 63857920
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-(1-aminopropan-2-ylsulfonyl)-N-(2-methylphenyl)acetamide
CID 81187980
2-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl]sulfonylacetic acid
CID 82180446
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide (CID 82180098) is 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)S(=O)(=O)CCCN.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide?
The InChIKey is GPBHHXRLJJRQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-6-3-4-7-12(10)15-13(16)11(2)19(17,18)9-5-8-14/h3-4,6-7,11H,5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide?
2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.09, 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-(2-methylphenyl)propanamide is sourced from PubChem (CID 82180098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).