[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone

C16H21ClN2OS — CID 119329037

IUPAC[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2OS/c17-14-3-1-12(2-4-14)15-11-21-10-9-19(15)16(20)13-5-7-18-8-6-13/h1-4,13,15,18H,5-11H2
InChIKeyYPLTVWVNIIXONM-UHFFFAOYSA-N
MW324.88 g/mol
LogP2.96
Rot. Bonds2

About [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone

[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone (PubChem CID 119329037) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
PubChem CID119329037
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H21ClN2OS/c17-14-3-1-12(2-4-14)15-11-21-10-9-19(15)16(20)13-5-7-18-8-6-13/h1-4,13,15,18H,5-11H2
InChIKeyYPLTVWVNIIXONM-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone (CID 119329037) is [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCSCC1c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
The InChIKey is YPLTVWVNIIXONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c17-14-3-1-12(2-4-14)15-11-21-10-9-19(15)16(20)13-5-7-18-8-6-13/h1-4,13,15,18H,5-11H2.
What are the key properties of [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone?
[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone has a molecular weight of 324.88 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 119329037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).