N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide

C10H16N4O4S — CID 136543326

IUPACN-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2c(N)noc2C)C1
InChIInChI=1S/C10H16N4O4S/c1-6-9(10(11)12-18-6)19(16,17)13-8-3-4-14(5-8)7(2)15/h8,13H,3-5H2,1-2H3,(H2,11,12)
InChIKeyXTLCXBQAWPTTJQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.54
Rot. Bonds3

About N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide

N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 136543326) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide
PubChem CID136543326
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC NameN-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCC(=O)N1CCC(NS(=O)(=O)c2c(N)noc2C)C1
InChIInChI=1S/C10H16N4O4S/c1-6-9(10(11)12-18-6)19(16,17)13-8-3-4-14(5-8)7(2)15/h8,13H,3-5H2,1-2H3,(H2,11,12)
InChIKeyXTLCXBQAWPTTJQ-UHFFFAOYSA-N
XLogP-0.54
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110871404
3-amino-5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-sulfonamide
CID 136543320
N-(1-acetylpyrrolidin-3-yl)-5-methylthiophene-2-sulfonamide
CID 110871416
2-[[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonylamino]cyclobutyl]-ethylamino]acetic acid
CID 122070459
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108566886
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108563474
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]imidazolidin-1-yl]-cyclopropylmethanone
CID 128851929
N-(1-acetylpiperidin-4-yl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053296
N-(1-acetylpiperidin-4-yl)-3,4-dimethylbenzenesulfonamide
CID 18141492
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 108565743
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide (CID 136543326) is N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide is CC(=O)N1CCC(NS(=O)(=O)c2c(N)noc2C)C1.
What is the InChIKey of N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is XTLCXBQAWPTTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-6-9(10(11)12-18-6)19(16,17)13-8-3-4-14(5-8)7(2)15/h8,13H,3-5H2,1-2H3,(H2,11,12).
What are the key properties of N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide?
N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpyrrolidin-3-yl)-3-amino-5-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 136543326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).