2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine

C12H19N3OS — CID 114721231

IUPAC2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine
SMILESc1ncn(CC2CCCS2)c1C1CNCCO1
InChIInChI=1S/C12H19N3OS/c1-2-10(17-5-1)8-15-9-14-6-11(15)12-7-13-3-4-16-12/h6,9-10,12-13H,1-5,7-8H2
InChIKeyVLXABCSTHBLCIR-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.44
Rot. Bonds3

About 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine

2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine (PubChem CID 114721231) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine.

Molecular Properties

Compound Name2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine
PubChem CID114721231
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine
SMILESc1ncn(CC2CCCS2)c1C1CNCCO1
InChIInChI=1S/C12H19N3OS/c1-2-10(17-5-1)8-15-9-14-6-11(15)12-7-13-3-4-16-12/h6,9-10,12-13H,1-5,7-8H2
InChIKeyVLXABCSTHBLCIR-UHFFFAOYSA-N
XLogP1.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(1-ethylcyclobutyl)methyl]imidazol-4-yl]morpholine
CID 114109907
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]morpholine
CID 114721021
2-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]morpholine
CID 114718670
2-(3-but-3-ynylimidazol-4-yl)morpholine
CID 114720452
2-[3-(2,2-dimethylbutyl)imidazol-4-yl]morpholine
CID 103466943
2-[3-(2-thiophen-2-ylethyl)imidazol-4-yl]morpholine
CID 114717096
2-[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]morpholine
CID 107165712
2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]morpholine
CID 114722434
N,N-diethyl-2-(5-morpholin-2-ylimidazol-1-yl)acetamide
CID 114721947
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]morpholine
CID 114716555
2-[3-[(4-methyl-3-pyridinyl)methyl]imidazol-4-yl]morpholine
CID 114958077
2-(3-pentan-3-ylimidazol-4-yl)morpholine
CID 114717268

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine?
The IUPAC name of 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine (CID 114721231) is 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine.
What is the SMILES notation for 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine?
The canonical SMILES for 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine is c1ncn(CC2CCCS2)c1C1CNCCO1.
What is the InChIKey of 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine?
The InChIKey is VLXABCSTHBLCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-10(17-5-1)8-15-9-14-6-11(15)12-7-13-3-4-16-12/h6,9-10,12-13H,1-5,7-8H2.
What are the key properties of 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine?
2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine has a molecular weight of 253.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiolan-2-ylmethyl)imidazol-4-yl]morpholine is sourced from PubChem (CID 114721231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).