N-(2-hydroxypropyl)oxane-4-sulfonamide

C8H17NO4S — CID 62050306

IUPACN-(2-hydroxypropyl)oxane-4-sulfonamide
SMILESCC(O)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H17NO4S/c1-7(10)6-9-14(11,12)8-2-4-13-5-3-8/h7-10H,2-6H2,1H3
InChIKeyFNAXWQHMPDEOTM-UHFFFAOYSA-N
MW223.29 g/mol
LogP-0.53
Rot. Bonds4

About N-(2-hydroxypropyl)oxane-4-sulfonamide

N-(2-hydroxypropyl)oxane-4-sulfonamide (PubChem CID 62050306) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is N-(2-hydroxypropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)oxane-4-sulfonamide
PubChem CID62050306
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC NameN-(2-hydroxypropyl)oxane-4-sulfonamide
SMILESCC(O)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H17NO4S/c1-7(10)6-9-14(11,12)8-2-4-13-5-3-8/h7-10H,2-6H2,1H3
InChIKeyFNAXWQHMPDEOTM-UHFFFAOYSA-N
XLogP-0.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-hydroxypropyl)oxane-4-sulfonamide (CID 62050306) is N-(2-hydroxypropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)oxane-4-sulfonamide is CC(O)CNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-hydroxypropyl)oxane-4-sulfonamide?
The InChIKey is FNAXWQHMPDEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-7(10)6-9-14(11,12)8-2-4-13-5-3-8/h7-10H,2-6H2,1H3.
What are the key properties of N-(2-hydroxypropyl)oxane-4-sulfonamide?
N-(2-hydroxypropyl)oxane-4-sulfonamide has a molecular weight of 223.29 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)oxane-4-sulfonamide is sourced from PubChem (CID 62050306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).