4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine

C15H25N3OS — CID 28729776

IUPAC4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
SMILESc1csc([C@@H]2CCCN2CCCCN2CCOCC2)n1
InChIInChI=1S/C15H25N3OS/c1(6-17-9-11-19-12-10-17)2-7-18-8-3-4-14(18)15-16-5-13-20-15/h5,13-14H,1-4,6-12H2/t14-/m0/s1
InChIKeyYIUXWBOHSFYOPJ-AWEZNQCLSA-N
MW295.45 g/mol
LogP2.39
Rot. Bonds6

About 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine

4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine (PubChem CID 28729776) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
PubChem CID28729776
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
SMILESc1csc([C@@H]2CCCN2CCCCN2CCOCC2)n1
InChIInChI=1S/C15H25N3OS/c1(6-17-9-11-19-12-10-17)2-7-18-8-3-4-14(18)15-16-5-13-20-15/h5,13-14H,1-4,6-12H2/t14-/m0/s1
InChIKeyYIUXWBOHSFYOPJ-AWEZNQCLSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
The IUPAC name of 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine (CID 28729776) is 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine.
What is the SMILES notation for 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
The canonical SMILES for 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine is c1csc([C@@H]2CCCN2CCCCN2CCOCC2)n1.
What is the InChIKey of 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
The InChIKey is YIUXWBOHSFYOPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N3OS/c1(6-17-9-11-19-12-10-17)2-7-18-8-3-4-14(18)15-16-5-13-20-15/h5,13-14H,1-4,6-12H2/t14-/m0/s1.
What are the key properties of 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine has a molecular weight of 295.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine is sourced from PubChem (CID 28729776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).