1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide

C10H20N2O3S — CID 80716199

IUPAC1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H20N2O3S/c1-2-8(6-11)16(13,14)12-9-5-7-3-4-10(9)15-7/h7-10,12H,2-6,11H2,1H3
InChIKeyPFSHEAXVNNRWMA-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.04
Rot. Bonds5

About 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide

1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide (PubChem CID 80716199) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide
PubChem CID80716199
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H20N2O3S/c1-2-8(6-11)16(13,14)12-9-5-7-3-4-10(9)15-7/h7-10,12H,2-6,11H2,1H3
InChIKeyPFSHEAXVNNRWMA-UHFFFAOYSA-N
XLogP-0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide (CID 80716199) is 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NC1CC2CCC1O2.
What is the InChIKey of 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide?
The InChIKey is PFSHEAXVNNRWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-8(6-11)16(13,14)12-9-5-7-3-4-10(9)15-7/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide?
1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butane-2-sulfonamide is sourced from PubChem (CID 80716199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).