N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide

C13H19N3O3S — CID 119962620

IUPACN-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](N)C2)ccc1C
InChIInChI=1S/C13H19N3O3S/c1-9-3-4-12(7-13(9)15-10(2)17)20(18,19)16-6-5-11(14)8-16/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyUTPXXVNDZXEVJA-LLVKDONJSA-N
MW297.38 g/mol
LogP0.68
Rot. Bonds3

About N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide

N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide (PubChem CID 119962620) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
PubChem CID119962620
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](N)C2)ccc1C
InChIInChI=1S/C13H19N3O3S/c1-9-3-4-12(7-13(9)15-10(2)17)20(18,19)16-6-5-11(14)8-16/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyUTPXXVNDZXEVJA-LLVKDONJSA-N
XLogP0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 115301671
N-[5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methylphenyl]acetamide
CID 119989372
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
methyl 5-(3-aminopiperidin-1-yl)sulfonyl-2-methylbenzoate;hydrochloride
CID 119959935
N-[5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 120777604
1-(2-methyl-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-amine
CID 119971740
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide (CID 119962620) is N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)N2CC[C@@H](N)C2)ccc1C.
What is the InChIKey of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
The InChIKey is UTPXXVNDZXEVJA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9-3-4-12(7-13(9)15-10(2)17)20(18,19)16-6-5-11(14)8-16/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide?
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide is sourced from PubChem (CID 119962620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).