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

C13H19N3O4S — CID 115301671

IUPACN-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1NC(C)=O
InChIInChI=1S/C13H19N3O4S/c1-9(17)15-12-7-11(3-4-13(12)20-2)21(18,19)16-6-5-10(14)8-16/h3-4,7,10H,5-6,8,14H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyDNAHJYJJTOUFLY-SNVBAGLBSA-N
MW313.38 g/mol
LogP0.38
Rot. Bonds4

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

N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide (PubChem CID 115301671) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
PubChem CID115301671
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1NC(C)=O
InChIInChI=1S/C13H19N3O4S/c1-9(17)15-12-7-11(3-4-13(12)20-2)21(18,19)16-6-5-10(14)8-16/h3-4,7,10H,5-6,8,14H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyDNAHJYJJTOUFLY-SNVBAGLBSA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide
CID 66291596
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119962620
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
methyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 110818596
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
ethyl 4-(3-acetamido-4-methoxyphenyl)sulfonylpiperazine-1-carboxylate
CID 8777810
N-[2-methoxy-5-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16615053
N-[2-methoxy-5-[3-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 24604869
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 27211523
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168030

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide (CID 115301671) is N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)N2CC[C@@H](N)C2)cc1NC(C)=O.
What is the InChIKey of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
The InChIKey is DNAHJYJJTOUFLY-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9(17)15-12-7-11(3-4-13(12)20-2)21(18,19)16-6-5-10(14)8-16/h3-4,7,10H,5-6,8,14H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide?
N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]acetamide is sourced from PubChem (CID 115301671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).