2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide

C13H25NO5S — CID 170285778

IUPAC2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(NCC1CCCOC1)C(CO)C1CCOCC1
InChIInChI=1S/C13H25NO5S/c15-9-13(12-3-6-18-7-4-12)20(16,17)14-8-11-2-1-5-19-10-11/h11-15H,1-10H2
InChIKeyQFUULWBDYZOYFD-UHFFFAOYSA-N
MW307.41 g/mol
LogP0.12
Rot. Bonds6

About 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide

2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide (PubChem CID 170285778) has the molecular formula C13H25NO5S and a molecular weight of 307.41 g/mol. Its IUPAC name is 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide
PubChem CID170285778
Molecular FormulaC13H25NO5S
Molecular Weight307.41 g/mol
Exact Mass307.15
IUPAC Name2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(NCC1CCCOC1)C(CO)C1CCOCC1
InChIInChI=1S/C13H25NO5S/c15-9-13(12-3-6-18-7-4-12)20(16,17)14-8-11-2-1-5-19-10-11/h11-15H,1-10H2
InChIKeyQFUULWBDYZOYFD-UHFFFAOYSA-N
XLogP0.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-3-ylmethylsulfamoyl)propanoic acid
CID 61457739
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
2-methyl-3-(oxan-3-ylmethylamino)butan-1-ol
CID 115907690
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
1-(oxan-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 115758905
3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827
3,5-dimethyl-N-[[(3S)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192826

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide (CID 170285778) is 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide is O=S(=O)(NCC1CCCOC1)C(CO)C1CCOCC1.
What is the InChIKey of 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide?
The InChIKey is QFUULWBDYZOYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5S/c15-9-13(12-3-6-18-7-4-12)20(16,17)14-8-11-2-1-5-19-10-11/h11-15H,1-10H2.
What are the key properties of 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide?
2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide has a molecular weight of 307.41 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(oxan-4-yl)-N-(oxan-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 170285778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).