6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide

C11H17N3O4S — CID 104758582

IUPAC6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(N)nc2)CCOC1
InChIInChI=1S/C11H17N3O4S/c1-17-11(4-5-18-8-11)7-14-19(15,16)9-2-3-10(12)13-6-9/h2-3,6,14H,4-5,7-8H2,1H3,(H2,12,13)
InChIKeyACOMGDDESGNLAO-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.25
Rot. Bonds5

About 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide

6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 104758582) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID104758582
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2ccc(N)nc2)CCOC1
InChIInChI=1S/C11H17N3O4S/c1-17-11(4-5-18-8-11)7-14-19(15,16)9-2-3-10(12)13-6-9/h2-3,6,14H,4-5,7-8H2,1H3,(H2,12,13)
InChIKeyACOMGDDESGNLAO-UHFFFAOYSA-N
XLogP-0.25
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104762812
6-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
CID 104765482
2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 113450085
3-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 116792216
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]-2-methylbenzenesulfonamide
CID 104758612
4-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104758566
3-cyano-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104706009
3-[(3-methoxyoxolan-3-yl)methylsulfamoyl]benzoic acid
CID 104759225
5-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 104758588
1-[4-(aminomethyl)phenyl]-N-[(3-methoxyoxolan-3-yl)methyl]methanesulfonamide
CID 104759966
N-[(3-methoxyoxolan-3-yl)methyl]-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106080448
N-[(3-methoxyoxolan-3-yl)methyl]-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106080492

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide (CID 104758582) is 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide is COC1(CNS(=O)(=O)c2ccc(N)nc2)CCOC1.
What is the InChIKey of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is ACOMGDDESGNLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-17-11(4-5-18-8-11)7-14-19(15,16)9-2-3-10(12)13-6-9/h2-3,6,14H,4-5,7-8H2,1H3,(H2,12,13).
What are the key properties of 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 104758582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).