N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine

C16H17N3O5S — CID 2998854

IUPACN-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2ccc3c(c2)OCO3)nc1)N1CCOCC1
InChIInChI=1S/C16H17N3O5S/c20-25(21,19-5-7-22-8-6-19)13-2-4-16(17-10-13)18-12-1-3-14-15(9-12)24-11-23-14/h1-4,9-10H,5-8,11H2,(H,17,18)
InChIKeyQSATUMDJJZECMX-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.57
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine

N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 2998854) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID2998854
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2ccc3c(c2)OCO3)nc1)N1CCOCC1
InChIInChI=1S/C16H17N3O5S/c20-25(21,19-5-7-22-8-6-19)13-2-4-16(17-10-13)18-12-1-3-14-15(9-12)24-11-23-14/h1-4,9-10H,5-8,11H2,(H,17,18)
InChIKeyQSATUMDJJZECMX-UHFFFAOYSA-N
XLogP1.57
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine (CID 2998854) is N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(Nc2ccc3c(c2)OCO3)nc1)N1CCOCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is QSATUMDJJZECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-25(21,19-5-7-22-8-6-19)13-2-4-16(17-10-13)18-12-1-3-14-15(9-12)24-11-23-14/h1-4,9-10H,5-8,11H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine?
N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2998854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).