2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide

C13H20N2O3S — CID 82180091

IUPAC2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CS(=O)(=O)CCCN
InChIInChI=1S/C13H20N2O3S/c1-10-5-3-6-11(2)13(10)15-12(16)9-19(17,18)8-4-7-14/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyRBZKBUHTFODPGQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.01
Rot. Bonds6

About 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide

2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 82180091) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
PubChem CID82180091
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CS(=O)(=O)CCCN
InChIInChI=1S/C13H20N2O3S/c1-10-5-3-6-11(2)13(10)15-12(16)9-19(17,18)8-4-7-14/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyRBZKBUHTFODPGQ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82179953
2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 82179960
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
2-(3-cyanopropylsulfonyl)-N-(2,3-dimethylphenyl)acetamide
CID 82183117
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide (CID 82180091) is 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CS(=O)(=O)CCCN.
What is the InChIKey of 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is RBZKBUHTFODPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-5-3-6-11(2)13(10)15-12(16)9-19(17,18)8-4-7-14/h3,5-6H,4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.01, 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-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 82180091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).