N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide

C9H14BrN5O3S — CID 106468175

IUPACN-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2c(Br)nnn2C)C1
InChIInChI=1S/C9H14BrN5O3S/c1-6(16)11-7-3-4-15(5-7)19(17,18)9-8(10)12-13-14(9)2/h7H,3-5H2,1-2H3,(H,11,16)
InChIKeyKAIRXXHPDNQGCG-UHFFFAOYSA-N
MW352.21 g/mol
LogP-0.52
Rot. Bonds3

About N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide

N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide (PubChem CID 106468175) has the molecular formula C9H14BrN5O3S and a molecular weight of 352.21 g/mol. Its IUPAC name is N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide
PubChem CID106468175
Molecular FormulaC9H14BrN5O3S
Molecular Weight352.21 g/mol
Exact Mass351.00
IUPAC NameN-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(S(=O)(=O)c2c(Br)nnn2C)C1
InChIInChI=1S/C9H14BrN5O3S/c1-6(16)11-7-3-4-15(5-7)19(17,18)9-8(10)12-13-14(9)2/h7H,3-5H2,1-2H3,(H,11,16)
InChIKeyKAIRXXHPDNQGCG-UHFFFAOYSA-N
XLogP-0.52
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]carbamate
CID 103354671
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidine-3-carboxylate
CID 103354558
4-(bromomethyl)-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 106468404
methyl 1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-4-methylpyrrolidine-3-carboxylate
CID 103354633
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 106466705
N-[1-(1H-imidazol-5-ylsulfonyl)pyrrolidin-3-yl]acetamide
CID 113402571
N-[1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 113402030
N-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]acetamide
CID 113402591
N-[1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 107327407
N-[1-[(6-carbamothioyl-3-pyridinyl)sulfonyl]pyrrolidin-3-yl]acetamide
CID 114614666
4-benzyl-1-(5-bromo-3-methyltriazol-4-yl)sulfonylpiperidine
CID 86807998
1-(5-bromo-3-methyltriazol-4-yl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742367

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide (CID 106468175) is N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(S(=O)(=O)c2c(Br)nnn2C)C1.
What is the InChIKey of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide?
The InChIKey is KAIRXXHPDNQGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN5O3S/c1-6(16)11-7-3-4-15(5-7)19(17,18)9-8(10)12-13-14(9)2/h7H,3-5H2,1-2H3,(H,11,16).
What are the key properties of N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide?
N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 352.21 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3-methyltriazol-4-yl)sulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 106468175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).