2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide

C13H22N4O3S — CID 62151364

IUPAC2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C13H22N4O3S/c1-11(10-17-6-8-20-9-7-17)16-21(18,19)12-4-3-5-15-13(12)14-2/h3-5,11,16H,6-10H2,1-2H3,(H,14,15)
InChIKeyFTGRHWCANGHKKE-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.12
Rot. Bonds6

About 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide

2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 62151364) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID62151364
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)CN1CCOCC1
InChIInChI=1S/C13H22N4O3S/c1-11(10-17-6-8-20-9-7-17)16-21(18,19)12-4-3-5-15-13(12)14-2/h3-5,11,16H,6-10H2,1-2H3,(H,14,15)
InChIKeyFTGRHWCANGHKKE-UHFFFAOYSA-N
XLogP0.12
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide (CID 62151364) is 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NC(C)CN1CCOCC1.
What is the InChIKey of 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is FTGRHWCANGHKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-11(10-17-6-8-20-9-7-17)16-21(18,19)12-4-3-5-15-13(12)14-2/h3-5,11,16H,6-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide?
2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 62151364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).