(3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine

C14H17ClN4S — CID 124516668

IUPAC(3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine
SMILESCn1nncc1CN1CCSC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4S/c1-18-13(8-16-17-18)9-19-6-7-20-10-14(19)11-2-4-12(15)5-3-11/h2-5,8,14H,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyHDILULZSTWIFHP-AWEZNQCLSA-N
MW308.84 g/mol
LogP2.76
Rot. Bonds3

About (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine

(3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine (PubChem CID 124516668) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine
PubChem CID124516668
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name(3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine
SMILESCn1nncc1CN1CCSC[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN4S/c1-18-13(8-16-17-18)9-19-6-7-20-10-14(19)11-2-4-12(15)5-3-11/h2-5,8,14H,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyHDILULZSTWIFHP-AWEZNQCLSA-N
XLogP2.76
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine?
The IUPAC name of (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine (CID 124516668) is (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine is Cn1nncc1CN1CCSC[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine?
The InChIKey is HDILULZSTWIFHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-18-13(8-16-17-18)9-19-6-7-20-10-14(19)11-2-4-12(15)5-3-11/h2-5,8,14H,6-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine?
(3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine has a molecular weight of 308.84 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine is sourced from PubChem (CID 124516668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).