1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid

C10H15N3O5S — CID 122070283

IUPAC1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
SMILESCc1onc(N)c1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H15N3O5S/c1-6-8(9(11)12-18-6)19(16,17)13-4-2-3-7(5-13)10(14)15/h7H,2-5H2,1H3,(H2,11,12)(H,14,15)
InChIKeyNOXNSJWVTPAZOF-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.05
Rot. Bonds3

About 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid

1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid (PubChem CID 122070283) has the molecular formula C10H15N3O5S and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
PubChem CID122070283
Molecular FormulaC10H15N3O5S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid
SMILESCc1onc(N)c1S(=O)(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H15N3O5S/c1-6-8(9(11)12-18-6)19(16,17)13-4-2-3-7(5-13)10(14)15/h7H,2-5H2,1H3,(H2,11,12)(H,14,15)
InChIKeyNOXNSJWVTPAZOF-UHFFFAOYSA-N
XLogP0.05
TPSA126.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidine-3-carboxylic acid
CID 62707263
[3-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]imidazolidin-1-yl]-cyclopropylmethanone
CID 128851929
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxylic acid
CID 4290756
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936
(3-methyl-1,2-oxazol-5-yl)methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463541

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid (CID 122070283) is 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid is Cc1onc(N)c1S(=O)(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid?
The InChIKey is NOXNSJWVTPAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S/c1-6-8(9(11)12-18-6)19(16,17)13-4-2-3-7(5-13)10(14)15/h7H,2-5H2,1H3,(H2,11,12)(H,14,15).
What are the key properties of 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid?
1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122070283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).