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

C17H25N5O3S2 — CID 57392790

IUPACN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1
InChIInChI=1S/C17H25N5O3S2/c23-27(24,22-10-12-25-13-11-22)20-9-4-1-3-8-19-17-21-16(14-26-17)15-6-2-5-7-18-15/h2,5-7,14,20H,1,3-4,8-13H2,(H,19,21)
InChIKeyTVUDHDYQPKHVFX-UHFFFAOYSA-N
MW411.55 g/mol
LogP1.95
Rot. Bonds10

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

N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide (PubChem CID 57392790) has the molecular formula C17H25N5O3S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide
PubChem CID57392790
Molecular FormulaC17H25N5O3S2
Molecular Weight411.55 g/mol
Exact Mass411.14
IUPAC NameN-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1
InChIInChI=1S/C17H25N5O3S2/c23-27(24,22-10-12-25-13-11-22)20-9-4-1-3-8-19-17-21-16(14-26-17)15-6-2-5-7-18-15/h2,5-7,14,20H,1,3-4,8-13H2,(H,19,21)
InChIKeyTVUDHDYQPKHVFX-UHFFFAOYSA-N
XLogP1.95
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 51.95
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 N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
The IUPAC name of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide (CID 57392790) is N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide is O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1.
What is the InChIKey of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
The InChIKey is TVUDHDYQPKHVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S2/c23-27(24,22-10-12-25-13-11-22)20-9-4-1-3-8-19-17-21-16(14-26-17)15-6-2-5-7-18-15/h2,5-7,14,20H,1,3-4,8-13H2,(H,19,21).
What are the key properties of N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide?
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide has a molecular weight of 411.55 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]morpholine-4-sulfonamide is sourced from PubChem (CID 57392790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).