(3-aminophenyl)-thiomorpholin-4-ylmethanone

C11H14N2OS — CID 28786527

IUPAC(3-aminophenyl)-thiomorpholin-4-ylmethanone
SMILESNc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C11H14N2OS/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
InChIKeyXYBPGFUJUIVYSU-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.46
Rot. Bonds1

About (3-aminophenyl)-thiomorpholin-4-ylmethanone

(3-aminophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 28786527) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is (3-aminophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-aminophenyl)-thiomorpholin-4-ylmethanone
PubChem CID28786527
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name(3-aminophenyl)-thiomorpholin-4-ylmethanone
SMILESNc1cccc(C(=O)N2CCSCC2)c1
InChIInChI=1S/C11H14N2OS/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
InChIKeyXYBPGFUJUIVYSU-UHFFFAOYSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 119708838
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(3-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689053
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (3-aminophenyl)-thiomorpholin-4-ylmethanone (CID 28786527) is (3-aminophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (3-aminophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (3-aminophenyl)-thiomorpholin-4-ylmethanone is Nc1cccc(C(=O)N2CCSCC2)c1.
What is the InChIKey of (3-aminophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is XYBPGFUJUIVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2.
What are the key properties of (3-aminophenyl)-thiomorpholin-4-ylmethanone?
(3-aminophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 222.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 28786527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).