N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide

C11H23NO4S — CID 62521427

IUPACN-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO4S/c1-3-11(4-2,9-13)12-17(14,15)10-5-7-16-8-6-10/h10,12-13H,3-9H2,1-2H3
InChIKeyTVPMFBUJLAQQMH-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.64
Rot. Bonds6

About N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide

N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide (PubChem CID 62521427) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide
PubChem CID62521427
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide
SMILESCCC(CC)(CO)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H23NO4S/c1-3-11(4-2,9-13)12-17(14,15)10-5-7-16-8-6-10/h10,12-13H,3-9H2,1-2H3
InChIKeyTVPMFBUJLAQQMH-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide (CID 62521427) is N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide is CCC(CC)(CO)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide?
The InChIKey is TVPMFBUJLAQQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-11(4-2,9-13)12-17(14,15)10-5-7-16-8-6-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide?
N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide has a molecular weight of 265.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]oxane-4-sulfonamide is sourced from PubChem (CID 62521427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).