N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide

C13H20N4O4S2 — CID 91775099

IUPACN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C13H20N4O4S2/c1-6(2)8-12(22-17-15-8)13(18)14-9-7-4-5-21-11(7)10(9)16-23(3,19)20/h6-7,9-11,16H,4-5H2,1-3H3,(H,14,18)/t7-,9+,10-,11-/m1/s1
InChIKeyPNOSUMYONSPGAP-APHKKCJPSA-N
MW360.46 g/mol
LogP0.10
Rot. Bonds5

About N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide

N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 91775099) has the molecular formula C13H20N4O4S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID91775099
Molecular FormulaC13H20N4O4S2
Molecular Weight360.46 g/mol
Exact Mass360.09
IUPAC NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)c1nnsc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O
InChIInChI=1S/C13H20N4O4S2/c1-6(2)8-12(22-17-15-8)13(18)14-9-7-4-5-21-11(7)10(9)16-23(3,19)20/h6-7,9-11,16H,4-5H2,1-3H3,(H,14,18)/t7-,9+,10-,11-/m1/s1
InChIKeyPNOSUMYONSPGAP-APHKKCJPSA-N
XLogP0.10
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-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]-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide (CID 91775099) is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide is CC(C)c1nnsc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is PNOSUMYONSPGAP-APHKKCJPSA-N. The full InChI is InChI=1S/C13H20N4O4S2/c1-6(2)8-12(22-17-15-8)13(18)14-9-7-4-5-21-11(7)10(9)16-23(3,19)20/h6-7,9-11,16H,4-5H2,1-3H3,(H,14,18)/t7-,9+,10-,11-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide?
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 91775099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).