(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone

C11H11ClINOS — CID 172647456

IUPAC(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1I)N1CCSCC1
InChIInChI=1S/C11H11ClINOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyQSWNREVEKMPPHS-UHFFFAOYSA-N
MW367.64 g/mol
LogP3.13
Rot. Bonds1

About (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone

(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 172647456) has the molecular formula C11H11ClINOS and a molecular weight of 367.64 g/mol. Its IUPAC name is (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
PubChem CID172647456
Molecular FormulaC11H11ClINOS
Molecular Weight367.64 g/mol
Exact Mass366.93
IUPAC Name(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1I)N1CCSCC1
InChIInChI=1S/C11H11ClINOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyQSWNREVEKMPPHS-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646486
(4-chloro-2-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039260
(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
CID 164891876
[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 146035488
(4-chloro-2-iodophenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 99467417
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
(2-chlorophenyl)-thiomorpholin-4-ylmethanone
CID 2804981
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 39717758
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 28787276

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone (CID 172647456) is (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone is O=C(c1ccc(Cl)cc1I)N1CCSCC1.
What is the InChIKey of (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is QSWNREVEKMPPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClINOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone?
(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 367.64 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 172647456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).