[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone

C13H17ClN2OS — CID 62165244

IUPAC[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCSCC1
InChIInChI=1S/C13H17ClN2OS/c1-2-15-12-4-3-10(14)9-11(12)13(17)16-5-7-18-8-6-16/h3-4,9,15H,2,5-8H2,1H3
InChIKeyZHANNJVAZDRNRI-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.96
Rot. Bonds3

About [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone

[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone (PubChem CID 62165244) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
PubChem CID62165244
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC Name[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
SMILESCCNc1ccc(Cl)cc1C(=O)N1CCSCC1
InChIInChI=1S/C13H17ClN2OS/c1-2-15-12-4-3-10(14)9-11(12)13(17)16-5-7-18-8-6-16/h3-4,9,15H,2,5-8H2,1H3
InChIKeyZHANNJVAZDRNRI-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
[5-chloro-2-(ethylamino)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106741494
[5-chloro-2-(ethylamino)phenyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103529939
5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 103529940
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
[5-chloro-2-(ethylamino)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103529941
[5-chloro-2-(ethylamino)phenyl]-[(5S)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 99833423
(4-chloro-2-iodophenyl)-thiomorpholin-4-ylmethanone
CID 172647456
[5-chloro-2-(ethylamino)phenyl]-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62174798
[5-chloro-2-(trifluoromethyl)phenyl]-thiomorpholin-4-ylmethanone
CID 146035488
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone (CID 62165244) is [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone is CCNc1ccc(Cl)cc1C(=O)N1CCSCC1.
What is the InChIKey of [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone?
The InChIKey is ZHANNJVAZDRNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-2-15-12-4-3-10(14)9-11(12)13(17)16-5-7-18-8-6-16/h3-4,9,15H,2,5-8H2,1H3.
What are the key properties of [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone?
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone has a molecular weight of 284.81 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 62165244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).