(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid

C9H13N3O4S — CID 79034784

IUPAC(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H13N3O4S/c13-9(14)7-3-1-2-4-12(7)17(15,16)8-5-10-6-11-8/h5-7H,1-4H2,(H,10,11)(H,13,14)/t7-/m1/s1
InChIKeyYUFHCGMVERSCQU-SSDOTTSWSA-N
MW259.29 g/mol
LogP0.04
Rot. Bonds3

About (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid

(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid (PubChem CID 79034784) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
PubChem CID79034784
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C9H13N3O4S/c13-9(14)7-3-1-2-4-12(7)17(15,16)8-5-10-6-11-8/h5-7H,1-4H2,(H,10,11)(H,13,14)/t7-/m1/s1
InChIKeyYUFHCGMVERSCQU-SSDOTTSWSA-N
XLogP0.04
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid (CID 79034784) is (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid?
The InChIKey is YUFHCGMVERSCQU-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O4S/c13-9(14)7-3-1-2-4-12(7)17(15,16)8-5-10-6-11-8/h5-7H,1-4H2,(H,10,11)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid?
(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).