N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide

C12H20N4O3S — CID 91778099

IUPACN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H]2[C@@H](N)[C@H]3CCO[C@H]32)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-4-16-7-8(6-14-16)20(17,18)15-11-10(13)9-3-5-19-12(9)11/h6-7,9-12,15H,2-5,13H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKeyAWLSACWMRKRFSO-WRWGMCAJSA-N
MW300.38 g/mol
LogP-0.31
Rot. Bonds5

About N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide

N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide (PubChem CID 91778099) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide
PubChem CID91778099
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N[C@@H]2[C@@H](N)[C@H]3CCO[C@H]32)cn1
InChIInChI=1S/C12H20N4O3S/c1-2-4-16-7-8(6-14-16)20(17,18)15-11-10(13)9-3-5-19-12(9)11/h6-7,9-12,15H,2-5,13H2,1H3/t9-,10+,11-,12-/m1/s1
InChIKeyAWLSACWMRKRFSO-WRWGMCAJSA-N
XLogP-0.31
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide (CID 91778099) is N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N[C@@H]2[C@@H](N)[C@H]3CCO[C@H]32)cn1.
What is the InChIKey of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is AWLSACWMRKRFSO-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-2-4-16-7-8(6-14-16)20(17,18)15-11-10(13)9-3-5-19-12(9)11/h6-7,9-12,15H,2-5,13H2,1H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide?
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 91778099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).