[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol

C11H17N3O4S — CID 103306627

IUPAC[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
SMILESCNc1cccnc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H17N3O4S/c1-12-10-3-2-4-13-11(10)19(16,17)14-5-6-18-9(7-14)8-15/h2-4,9,12,15H,5-8H2,1H3
InChIKeyTUDNYXNHTXENTJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.49
Rot. Bonds4

About [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol

[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol (PubChem CID 103306627) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
PubChem CID103306627
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
SMILESCNc1cccnc1S(=O)(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H17N3O4S/c1-12-10-3-2-4-13-11(10)19(16,17)14-5-6-18-9(7-14)8-15/h2-4,9,12,15H,5-8H2,1H3
InChIKeyTUDNYXNHTXENTJ-UHFFFAOYSA-N
XLogP-0.49
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol (CID 103306627) is [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol is CNc1cccnc1S(=O)(=O)N1CCOC(CO)C1.
What is the InChIKey of [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol?
The InChIKey is TUDNYXNHTXENTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-12-10-3-2-4-13-11(10)19(16,17)14-5-6-18-9(7-14)8-15/h2-4,9,12,15H,5-8H2,1H3.
What are the key properties of [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol?
[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol has a molecular weight of 287.34 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol is sourced from PubChem (CID 103306627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).