(2-chlorophenyl)-thiomorpholin-4-ylmethanone

C11H12ClNOS — CID 2804981

IUPAC(2-chlorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccccc1Cl)N1CCSCC1
InChIInChI=1S/C11H12ClNOS/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKeyPULVKSQKLLEGPA-UHFFFAOYSA-N
MW241.74 g/mol
LogP2.53
Rot. Bonds1

About (2-chlorophenyl)-thiomorpholin-4-ylmethanone

(2-chlorophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 2804981) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is (2-chlorophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-chlorophenyl)-thiomorpholin-4-ylmethanone
PubChem CID2804981
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name(2-chlorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccccc1Cl)N1CCSCC1
InChIInChI=1S/C11H12ClNOS/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKeyPULVKSQKLLEGPA-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(1,3-thiazolidin-3-yl)methanone
CID 122331936
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
(2-pyrrolidin-1-ylphenyl)-thiomorpholin-4-ylmethanone
CID 168513754
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
2-(1,4-thiazepane-4-carbonyl)benzoic acid
CID 61419510
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
(3-amino-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 112575733
(3-bromo-2-chlorophenyl)-(1,4-thiazepan-4-yl)methanone
CID 103995516

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-chlorophenyl)-thiomorpholin-4-ylmethanone (CID 2804981) is (2-chlorophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-chlorophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-chlorophenyl)-thiomorpholin-4-ylmethanone is O=C(c1ccccc1Cl)N1CCSCC1.
What is the InChIKey of (2-chlorophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is PULVKSQKLLEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2.
What are the key properties of (2-chlorophenyl)-thiomorpholin-4-ylmethanone?
(2-chlorophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 241.74 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 2804981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).