2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide

C19H29N5O3S2 — CID 57392791

IUPAC2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1
InChIInChI=1S/C19H29N5O3S2/c1-15-12-24(13-16(2)27-15)29(25,26)22-11-6-3-5-10-21-19-23-18(14-28-19)17-8-4-7-9-20-17/h4,7-9,14-16,22H,3,5-6,10-13H2,1-2H3,(H,21,23)
InChIKeyNQYAYRLQJGLJPY-UHFFFAOYSA-N
MW439.61 g/mol
LogP2.73
Rot. Bonds10

About 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide

2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide (PubChem CID 57392791) has the molecular formula C19H29N5O3S2 and a molecular weight of 439.61 g/mol. Its IUPAC name is 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide
PubChem CID57392791
Molecular FormulaC19H29N5O3S2
Molecular Weight439.61 g/mol
Exact Mass439.17
IUPAC Name2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1
InChIInChI=1S/C19H29N5O3S2/c1-15-12-24(13-16(2)27-15)29(25,26)22-11-6-3-5-10-21-19-23-18(14-28-19)17-8-4-7-9-20-17/h4,7-9,14-16,22H,3,5-6,10-13H2,1-2H3,(H,21,23)
InChIKeyNQYAYRLQJGLJPY-UHFFFAOYSA-N
XLogP2.73
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
The IUPAC name of 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide (CID 57392791) is 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide.
What is the SMILES notation for 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
The canonical SMILES for 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide is CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
The InChIKey is NQYAYRLQJGLJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S2/c1-15-12-24(13-16(2)27-15)29(25,26)22-11-6-3-5-10-21-19-23-18(14-28-19)17-8-4-7-9-20-17/h4,7-9,14-16,22H,3,5-6,10-13H2,1-2H3,(H,21,23).
What are the key properties of 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide has a molecular weight of 439.61 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide is sourced from PubChem (CID 57392791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).