(3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine

C7H14N4O3S — CID 58777574

IUPAC(3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine
SMILESCO[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C7H14N4O3S/c1-14-7-5-11(15(2,12)13)4-3-6(7)9-10-8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyMLXXHSLBVXNKHV-RNFRBKRXSA-N
MW234.28 g/mol
LogP0.35
Rot. Bonds3

About (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine

(3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine (PubChem CID 58777574) has the molecular formula C7H14N4O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name(3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine
PubChem CID58777574
Molecular FormulaC7H14N4O3S
Molecular Weight234.28 g/mol
Exact Mass234.08
IUPAC Name(3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine
SMILESCO[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C7H14N4O3S/c1-14-7-5-11(15(2,12)13)4-3-6(7)9-10-8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
InChIKeyMLXXHSLBVXNKHV-RNFRBKRXSA-N
XLogP0.35
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.35
H-Bond Donors ≤ 50
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 (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine?
The IUPAC name of (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine (CID 58777574) is (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine.
What is the SMILES notation for (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine?
The canonical SMILES for (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine is CO[C@@H]1CN(S(C)(=O)=O)CC[C@H]1N=[N+]=[N-].
What is the InChIKey of (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine?
The InChIKey is MLXXHSLBVXNKHV-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N4O3S/c1-14-7-5-11(15(2,12)13)4-3-6(7)9-10-8/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine?
(3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine has a molecular weight of 234.28 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-azido-3-methoxy-1-methylsulfonylpiperidine is sourced from PubChem (CID 58777574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).