N-propyloxetane-3-sulfonamide

C6H13NO3S — CID 131225974

IUPACN-propyloxetane-3-sulfonamide
SMILESCCCNS(=O)(=O)C1COC1
InChIInChI=1S/C6H13NO3S/c1-2-3-7-11(8,9)6-4-10-5-6/h6-7H,2-5H2,1H3
InChIKeyXLZVMUYILKTUFV-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.29
Rot. Bonds4

About N-propyloxetane-3-sulfonamide

N-propyloxetane-3-sulfonamide (PubChem CID 131225974) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-propyloxetane-3-sulfonamide.

Molecular Properties

Compound NameN-propyloxetane-3-sulfonamide
PubChem CID131225974
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-propyloxetane-3-sulfonamide
SMILESCCCNS(=O)(=O)C1COC1
InChIInChI=1S/C6H13NO3S/c1-2-3-7-11(8,9)6-4-10-5-6/h6-7H,2-5H2,1H3
InChIKeyXLZVMUYILKTUFV-UHFFFAOYSA-N
XLogP-0.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyloxetane-3-sulfonamide?
The IUPAC name of N-propyloxetane-3-sulfonamide (CID 131225974) is N-propyloxetane-3-sulfonamide.
What is the SMILES notation for N-propyloxetane-3-sulfonamide?
The canonical SMILES for N-propyloxetane-3-sulfonamide is CCCNS(=O)(=O)C1COC1.
What is the InChIKey of N-propyloxetane-3-sulfonamide?
The InChIKey is XLZVMUYILKTUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-2-3-7-11(8,9)6-4-10-5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-propyloxetane-3-sulfonamide?
N-propyloxetane-3-sulfonamide has a molecular weight of 179.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyloxetane-3-sulfonamide is sourced from PubChem (CID 131225974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).