N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide

C7H14N2O3S — CID 66197692

IUPACN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C7H14N2O3S/c1-13(10,11)9-6-5(8)4-2-3-12-7(4)6/h4-7,9H,2-3,8H2,1H3
InChIKeyQFXDZKGJJXOCPP-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.35
Rot. Bonds2

About N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide

N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide (PubChem CID 66197692) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
PubChem CID66197692
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1C(N)C2CCOC21
InChIInChI=1S/C7H14N2O3S/c1-13(10,11)9-6-5(8)4-2-3-12-7(4)6/h4-7,9H,2-3,8H2,1H3
InChIKeyQFXDZKGJJXOCPP-UHFFFAOYSA-N
XLogP-1.35
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide?
The IUPAC name of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide (CID 66197692) is N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide.
What is the SMILES notation for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide?
The canonical SMILES for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide is CS(=O)(=O)NC1C(N)C2CCOC21.
What is the InChIKey of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide?
The InChIKey is QFXDZKGJJXOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-13(10,11)9-6-5(8)4-2-3-12-7(4)6/h4-7,9H,2-3,8H2,1H3.
What are the key properties of N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide?
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide has a molecular weight of 206.27 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)methanesulfonamide is sourced from PubChem (CID 66197692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).