(3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine

C14H16ClN3S — CID 124516669

IUPAC(3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine
SMILESClc1ccc([C@@H]2CSCCN2Cc2cnc[nH]2)cc1
InChIInChI=1S/C14H16ClN3S/c15-12-3-1-11(2-4-12)14-9-19-6-5-18(14)8-13-7-16-10-17-13/h1-4,7,10,14H,5-6,8-9H2,(H,16,17)/t14-/m0/s1
InChIKeyASAUZJCZNUYBMH-AWEZNQCLSA-N
MW293.82 g/mol
LogP3.35
Rot. Bonds3

About (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine

(3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine (PubChem CID 124516669) has the molecular formula C14H16ClN3S and a molecular weight of 293.82 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine
PubChem CID124516669
Molecular FormulaC14H16ClN3S
Molecular Weight293.82 g/mol
Exact Mass293.08
IUPAC Name(3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine
SMILESClc1ccc([C@@H]2CSCCN2Cc2cnc[nH]2)cc1
InChIInChI=1S/C14H16ClN3S/c15-12-3-1-11(2-4-12)14-9-19-6-5-18(14)8-13-7-16-10-17-13/h1-4,7,10,14H,5-6,8-9H2,(H,16,17)/t14-/m0/s1
InChIKeyASAUZJCZNUYBMH-AWEZNQCLSA-N
XLogP3.35
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine?
The IUPAC name of (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine (CID 124516669) is (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine is Clc1ccc([C@@H]2CSCCN2Cc2cnc[nH]2)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine?
The InChIKey is ASAUZJCZNUYBMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16ClN3S/c15-12-3-1-11(2-4-12)14-9-19-6-5-18(14)8-13-7-16-10-17-13/h1-4,7,10,14H,5-6,8-9H2,(H,16,17)/t14-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine?
(3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine has a molecular weight of 293.82 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine is sourced from PubChem (CID 124516669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).