(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

C10H13N3O3S — CID 28777969

IUPAC(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-4-2-3-7(5-13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyPSANJMRIORRZPE-ZETCQYMHSA-N
MW255.30 g/mol
LogP0.78
Rot. Bonds2

About (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 28777969) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID28777969
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nnsc1C(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-4-2-3-7(5-13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyPSANJMRIORRZPE-ZETCQYMHSA-N
XLogP0.78
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid (CID 28777969) is (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is Cc1nnsc1C(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PSANJMRIORRZPE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6-8(17-12-11-6)9(14)13-4-2-3-7(5-13)10(15)16/h7H,2-5H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylthiadiazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 28777969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).