(4-methylphenyl)-thiomorpholin-4-ylmethanone

C12H15NOS — CID 1251524

IUPAC(4-methylphenyl)-thiomorpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCSCC2)cc1
InChIInChI=1S/C12H15NOS/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeySWZVCBWVCPZGLM-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.18
Rot. Bonds1

About (4-methylphenyl)-thiomorpholin-4-ylmethanone

(4-methylphenyl)-thiomorpholin-4-ylmethanone (PubChem CID 1251524) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (4-methylphenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-methylphenyl)-thiomorpholin-4-ylmethanone
PubChem CID1251524
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(4-methylphenyl)-thiomorpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCSCC2)cc1
InChIInChI=1S/C12H15NOS/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeySWZVCBWVCPZGLM-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-methylphenyl)-thiomorpholin-4-ylmethanone (CID 1251524) is (4-methylphenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-methylphenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-methylphenyl)-thiomorpholin-4-ylmethanone is Cc1ccc(C(=O)N2CCSCC2)cc1.
What is the InChIKey of (4-methylphenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is SWZVCBWVCPZGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-10-2-4-11(5-3-10)12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of (4-methylphenyl)-thiomorpholin-4-ylmethanone?
(4-methylphenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 221.33 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 1251524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).