N-propyloxane-4-sulfonamide

C8H17NO3S — CID 62047714

IUPACN-propyloxane-4-sulfonamide
SMILESCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-5-9-13(10,11)8-3-6-12-7-4-8/h8-9H,2-7H2,1H3
InChIKeyOQPOZEOTDOHUKT-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds4

About N-propyloxane-4-sulfonamide

N-propyloxane-4-sulfonamide (PubChem CID 62047714) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-propyloxane-4-sulfonamide.

Molecular Properties

Compound NameN-propyloxane-4-sulfonamide
PubChem CID62047714
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-propyloxane-4-sulfonamide
SMILESCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H17NO3S/c1-2-5-9-13(10,11)8-3-6-12-7-4-8/h8-9H,2-7H2,1H3
InChIKeyOQPOZEOTDOHUKT-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyloxane-4-sulfonamide?
The IUPAC name of N-propyloxane-4-sulfonamide (CID 62047714) is N-propyloxane-4-sulfonamide.
What is the SMILES notation for N-propyloxane-4-sulfonamide?
The canonical SMILES for N-propyloxane-4-sulfonamide is CCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-propyloxane-4-sulfonamide?
The InChIKey is OQPOZEOTDOHUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-5-9-13(10,11)8-3-6-12-7-4-8/h8-9H,2-7H2,1H3.
What are the key properties of N-propyloxane-4-sulfonamide?
N-propyloxane-4-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyloxane-4-sulfonamide is sourced from PubChem (CID 62047714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).