N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide

C12H18N2O4S — CID 122556089

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCOCC1)c1cccnc1
InChIInChI=1S/C12H18N2O4S/c15-10-12(3-6-18-7-4-12)9-14-19(16,17)11-2-1-5-13-8-11/h1-2,5,8,14-15H,3-4,6-7,9-10H2
InChIKeyJPKXULLHASERGQ-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.15
Rot. Bonds5

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide (PubChem CID 122556089) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide
PubChem CID122556089
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1(CO)CCOCC1)c1cccnc1
InChIInChI=1S/C12H18N2O4S/c15-10-12(3-6-18-7-4-12)9-14-19(16,17)11-2-1-5-13-8-11/h1-2,5,8,14-15H,3-4,6-7,9-10H2
InChIKeyJPKXULLHASERGQ-UHFFFAOYSA-N
XLogP0.15
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide (CID 122556089) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide is O=S(=O)(NCC1(CO)CCOCC1)c1cccnc1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is JPKXULLHASERGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c15-10-12(3-6-18-7-4-12)9-14-19(16,17)11-2-1-5-13-8-11/h1-2,5,8,14-15H,3-4,6-7,9-10H2.
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 122556089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).