(2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

C15H24N2OS — CID 95123431

IUPAC(2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1csc(CN2CCO[C@@H](CC3CCCCC3)C2)n1
InChIInChI=1S/C15H24N2OS/c1-2-4-13(5-3-1)10-14-11-17(7-8-18-14)12-15-16-6-9-19-15/h6,9,13-14H,1-5,7-8,10-12H2/t14-/m0/s1
InChIKeyBBPXFEKVGZJRQU-AWEZNQCLSA-N
MW280.44 g/mol
LogP3.31
Rot. Bonds4

About (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine

(2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (PubChem CID 95123431) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
PubChem CID95123431
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine
SMILESc1csc(CN2CCO[C@@H](CC3CCCCC3)C2)n1
InChIInChI=1S/C15H24N2OS/c1-2-4-13(5-3-1)10-14-11-17(7-8-18-14)12-15-16-6-9-19-15/h6,9,13-14H,1-5,7-8,10-12H2/t14-/m0/s1
InChIKeyBBPXFEKVGZJRQU-AWEZNQCLSA-N
XLogP3.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The IUPAC name of (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine (CID 95123431) is (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is c1csc(CN2CCO[C@@H](CC3CCCCC3)C2)n1.
What is the InChIKey of (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
The InChIKey is BBPXFEKVGZJRQU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-4-13(5-3-1)10-14-11-17(7-8-18-14)12-15-16-6-9-19-15/h6,9,13-14H,1-5,7-8,10-12H2/t14-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine?
(2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine has a molecular weight of 280.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)morpholine is sourced from PubChem (CID 95123431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).