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

C11H22N2O3S — CID 114267320

IUPAC1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC1CC2CCC1O2
InChIInChI=1S/C11H22N2O3S/c1-2-10(6-12)17(14,15)13-7-8-5-9-3-4-11(8)16-9/h8-11,13H,2-7,12H2,1H3
InChIKeyJWMSLIUHAVQIDK-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.21
Rot. Bonds6

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

1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide (PubChem CID 114267320) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide
PubChem CID114267320
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide
SMILESCCC(CN)S(=O)(=O)NCC1CC2CCC1O2
InChIInChI=1S/C11H22N2O3S/c1-2-10(6-12)17(14,15)13-7-8-5-9-3-4-11(8)16-9/h8-11,13H,2-7,12H2,1H3
InChIKeyJWMSLIUHAVQIDK-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.21
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-ylmethyl)butane-2-sulfonamide?
The IUPAC name of 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide (CID 114267320) is 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide is CCC(CN)S(=O)(=O)NCC1CC2CCC1O2.
What is the InChIKey of 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide?
The InChIKey is JWMSLIUHAVQIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-10(6-12)17(14,15)13-7-8-5-9-3-4-11(8)16-9/h8-11,13H,2-7,12H2,1H3.
What are the key properties of 1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide?
1-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-2-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.21, 6 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-ylmethyl)butane-2-sulfonamide is sourced from PubChem (CID 114267320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).