3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol

C12H19N3O4S — CID 9280425

IUPAC3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
SMILESO=S(=O)(c1ccc(NCCCO)nc1)N1CCOCC1
InChIInChI=1S/C12H19N3O4S/c16-7-1-4-13-12-3-2-11(10-14-12)20(17,18)15-5-8-19-9-6-15/h2-3,10,16H,1,4-9H2,(H,13,14)
InChIKeyZJHNPMHADUFHBD-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.10
Rot. Bonds6

About 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol

3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol (PubChem CID 9280425) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
PubChem CID9280425
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
SMILESO=S(=O)(c1ccc(NCCCO)nc1)N1CCOCC1
InChIInChI=1S/C12H19N3O4S/c16-7-1-4-13-12-3-2-11(10-14-12)20(17,18)15-5-8-19-9-6-15/h2-3,10,16H,1,4-9H2,(H,13,14)
InChIKeyZJHNPMHADUFHBD-UHFFFAOYSA-N
XLogP-0.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol (CID 9280425) is 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol is O=S(=O)(c1ccc(NCCCO)nc1)N1CCOCC1.
What is the InChIKey of 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
The InChIKey is ZJHNPMHADUFHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c16-7-1-4-13-12-3-2-11(10-14-12)20(17,18)15-5-8-19-9-6-15/h2-3,10,16H,1,4-9H2,(H,13,14).
What are the key properties of 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol?
3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol has a molecular weight of 301.37 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 9280425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).