4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid

C7H13N5O4S — CID 90894815

IUPAC4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)CCC1N=[N+]=[N-]
InChIInChI=1S/C7H13N5O4S/c1-17(15,16)10-6-4-12(7(13)14)3-2-5(6)9-11-8/h5-6,10H,2-4H2,1H3,(H,13,14)
InChIKeyWFXIFHUCFLRKML-UHFFFAOYSA-N
MW263.28 g/mol
LogP-0.03
Rot. Bonds3

About 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid

4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid (PubChem CID 90894815) has the molecular formula C7H13N5O4S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid
PubChem CID90894815
Molecular FormulaC7H13N5O4S
Molecular Weight263.28 g/mol
Exact Mass263.07
IUPAC Name4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)CCC1N=[N+]=[N-]
InChIInChI=1S/C7H13N5O4S/c1-17(15,16)10-6-4-12(7(13)14)3-2-5(6)9-11-8/h5-6,10H,2-4H2,1H3,(H,13,14)
InChIKeyWFXIFHUCFLRKML-UHFFFAOYSA-N
XLogP-0.03
TPSA135.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid?
The IUPAC name of 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid (CID 90894815) is 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid?
The canonical SMILES for 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid is CS(=O)(=O)NC1CN(C(=O)O)CCC1N=[N+]=[N-].
What is the InChIKey of 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid?
The InChIKey is WFXIFHUCFLRKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O4S/c1-17(15,16)10-6-4-12(7(13)14)3-2-5(6)9-11-8/h5-6,10H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid?
4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-3-(methanesulfonamido)piperidine-1-carboxylic acid is sourced from PubChem (CID 90894815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).