N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide

C13H16N6O4S — CID 91772794

IUPACN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H]2CCO[C@H]21
InChIInChI=1S/C13H16N6O4S/c1-24(21,22)16-11-10(8-3-5-23-12(8)11)14-13(20)7-2-4-19-9(6-7)15-17-18-19/h2,4,6,8,10-12,16H,3,5H2,1H3,(H,14,20)/t8-,10+,11-,12-/m1/s1
InChIKeyVTSZVPUXOVQZKV-SASUGWTJSA-N
MW352.38 g/mol
LogP-1.44
Rot. Bonds4

About N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide

N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 91772794) has the molecular formula C13H16N6O4S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID91772794
Molecular FormulaC13H16N6O4S
Molecular Weight352.38 g/mol
Exact Mass352.10
IUPAC NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H]2CCO[C@H]21
InChIInChI=1S/C13H16N6O4S/c1-24(21,22)16-11-10(8-3-5-23-12(8)11)14-13(20)7-2-4-19-9(6-7)15-17-18-19/h2,4,6,8,10-12,16H,3,5H2,1H3,(H,14,20)/t8-,10+,11-,12-/m1/s1
InChIKeyVTSZVPUXOVQZKV-SASUGWTJSA-N
XLogP-1.44
TPSA127.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide (CID 91772794) is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide is CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is VTSZVPUXOVQZKV-SASUGWTJSA-N. The full InChI is InChI=1S/C13H16N6O4S/c1-24(21,22)16-11-10(8-3-5-23-12(8)11)14-13(20)7-2-4-19-9(6-7)15-17-18-19/h2,4,6,8,10-12,16H,3,5H2,1H3,(H,14,20)/t8-,10+,11-,12-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide?
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 352.38 g/mol, XLogP of -1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]tetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 91772794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).