2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide

C12H17N3O3S2 — CID 62303922

IUPAC2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H17N3O3S2/c13-12(19)9-10-1-3-11(4-2-10)14-20(16,17)15-5-7-18-8-6-15/h1-4,14H,5-9H2,(H2,13,19)
InChIKeyTWIZUNIIZLYPOF-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.50
Rot. Bonds5

About 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide

2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide (PubChem CID 62303922) has the molecular formula C12H17N3O3S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide
PubChem CID62303922
Molecular FormulaC12H17N3O3S2
Molecular Weight315.42 g/mol
Exact Mass315.07
IUPAC Name2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C12H17N3O3S2/c13-12(19)9-10-1-3-11(4-2-10)14-20(16,17)15-5-7-18-8-6-15/h1-4,14H,5-9H2,(H2,13,19)
InChIKeyTWIZUNIIZLYPOF-UHFFFAOYSA-N
XLogP0.50
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)morpholine-4-sulfonamide
CID 21238314
N-[4-(2-chloroethyl)phenyl]morpholine-4-sulfonamide
CID 65031107
N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
CID 114296429
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
CID 126801854
N-(4-cyanophenyl)morpholine-4-sulfonamide
CID 28785040
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046
2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid
CID 63770992
2-[4-[(4-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185293
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
N-[4-(2-hydroxyethyl)phenyl]azepane-1-sulfonamide
CID 61223235
N-[5-(aminomethyl)-2-methylphenyl]morpholine-4-sulfonamide
CID 62104142

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide?
The IUPAC name of 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide (CID 62303922) is 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide?
The canonical SMILES for 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide is NC(=S)Cc1ccc(NS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide?
The InChIKey is TWIZUNIIZLYPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S2/c13-12(19)9-10-1-3-11(4-2-10)14-20(16,17)15-5-7-18-8-6-15/h1-4,14H,5-9H2,(H2,13,19).
What are the key properties of 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide?
2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide has a molecular weight of 315.42 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide is sourced from PubChem (CID 62303922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).