N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide

C14H20N4O4S — CID 91786687

IUPACN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)CCc2cnccn2)[C@H]2CCO[C@H]21
InChIInChI=1S/C14H20N4O4S/c1-23(20,21)18-13-12(10-4-7-22-14(10)13)17-11(19)3-2-9-8-15-5-6-16-9/h5-6,8,10,12-14,18H,2-4,7H2,1H3,(H,17,19)/t10-,12+,13-,14-/m1/s1
InChIKeyWJNIOIDOSJVCDI-YXCITZCRSA-N
MW340.41 g/mol
LogP-0.77
Rot. Bonds6

About N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide

N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 91786687) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide
PubChem CID91786687
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)CCc2cnccn2)[C@H]2CCO[C@H]21
InChIInChI=1S/C14H20N4O4S/c1-23(20,21)18-13-12(10-4-7-22-14(10)13)17-11(19)3-2-9-8-15-5-6-16-9/h5-6,8,10,12-14,18H,2-4,7H2,1H3,(H,17,19)/t10-,12+,13-,14-/m1/s1
InChIKeyWJNIOIDOSJVCDI-YXCITZCRSA-N
XLogP-0.77
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide with MolForge

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Related Compounds

N-[(1S,5S,6R,7S)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-pyrazin-2-ylacetamide
CID 133267559
N-[(1S,5S,6R,7S)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazine-4-carboxamide
CID 133267982
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 91770325
N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide
CID 146038626
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 91775099
N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 72882396
N-[(1S,5S,6R,7S)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 133267387
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91760405
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 91795886
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 91792598
5-chloro-N-[(1S,5S,6R,7S)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133265906
N-[(1S,5S,6R,7S)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 133266829

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide (CID 91786687) is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide is CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)CCc2cnccn2)[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]-3-pyrazin-2-ylpropanamide?
The InChIKey is WJNIOIDOSJVCDI-YXCITZCRSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-23(20,21)18-13-12(10-4-7-22-14(10)13)17-11(19)3-2-9-8-15-5-6-16-9/h5-6,8,10,12-14,18H,2-4,7H2,1H3,(H,17,19)/t10-,12+,13-,14-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide?
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 340.41 g/mol, XLogP of -0.77, 6 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)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 91786687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).