N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide

C16H23N3O3S2 — CID 2803141

IUPACN-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide
SMILESO=S(=O)(c1ccc(NC(=S)N2CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C16H23N3O3S2/c20-24(21,19-8-2-1-3-9-19)15-6-4-14(5-7-15)17-16(23)18-10-12-22-13-11-18/h4-7H,1-3,8-13H2,(H,17,23)
InChIKeyLZWCLPQMBVJIEL-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.89
Rot. Bonds3

About N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide

N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide (PubChem CID 2803141) has the molecular formula C16H23N3O3S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide
PubChem CID2803141
Molecular FormulaC16H23N3O3S2
Molecular Weight369.51 g/mol
Exact Mass369.12
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide
SMILESO=S(=O)(c1ccc(NC(=S)N2CCOCC2)cc1)N1CCCCC1
InChIInChI=1S/C16H23N3O3S2/c20-24(21,19-8-2-1-3-9-19)15-6-4-14(5-7-15)17-16(23)18-10-12-22-13-11-18/h4-7H,1-3,8-13H2,(H,17,23)
InChIKeyLZWCLPQMBVJIEL-UHFFFAOYSA-N
XLogP1.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide (CID 2803141) is N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide is O=S(=O)(c1ccc(NC(=S)N2CCOCC2)cc1)N1CCCCC1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide?
The InChIKey is LZWCLPQMBVJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2/c20-24(21,19-8-2-1-3-9-19)15-6-4-14(5-7-15)17-16(23)18-10-12-22-13-11-18/h4-7H,1-3,8-13H2,(H,17,23).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide?
N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide has a molecular weight of 369.51 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)morpholine-4-carbothioamide is sourced from PubChem (CID 2803141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).