4-(benzenesulfonyl)morpholine-2-carbothioamide

C11H14N2O3S2 — CID 79674762

IUPAC4-(benzenesulfonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C11H14N2O3S2/c12-11(17)10-8-13(6-7-16-10)18(14,15)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,17)
InChIKeySCOBHEVOUPDRJP-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.36
Rot. Bonds3

About 4-(benzenesulfonyl)morpholine-2-carbothioamide

4-(benzenesulfonyl)morpholine-2-carbothioamide (PubChem CID 79674762) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(benzenesulfonyl)morpholine-2-carbothioamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)morpholine-2-carbothioamide
PubChem CID79674762
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name4-(benzenesulfonyl)morpholine-2-carbothioamide
SMILESNC(=S)C1CN(S(=O)(=O)c2ccccc2)CCO1
InChIInChI=1S/C11H14N2O3S2/c12-11(17)10-8-13(6-7-16-10)18(14,15)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,17)
InChIKeySCOBHEVOUPDRJP-UHFFFAOYSA-N
XLogP0.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79675206
4-(2,4-difluorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79674677
4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
CID 79675027
4-(benzenesulfonyl)piperazine-1-carbothioamide
CID 2052028
4-(dimethylsulfamoyl)morpholine-2-carbothioamide
CID 79674162
3-(2-ethylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43562909
4-(benzenesulfonyl)-2-pyridin-2-ylmorpholine
CID 110270736
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
(2R)-4-(benzenesulfonyl)-2-(2-phenylethyl)morpholine
CID 25279605
methyl 2-[4-(benzenesulfonyl)morpholin-2-yl]acetate
CID 79771144
4-(benzenesulfonyl)-2-(4-ethylphenyl)morpholine
CID 110364047
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)morpholine-2-carbothioamide?
The IUPAC name of 4-(benzenesulfonyl)morpholine-2-carbothioamide (CID 79674762) is 4-(benzenesulfonyl)morpholine-2-carbothioamide.
What is the SMILES notation for 4-(benzenesulfonyl)morpholine-2-carbothioamide?
The canonical SMILES for 4-(benzenesulfonyl)morpholine-2-carbothioamide is NC(=S)C1CN(S(=O)(=O)c2ccccc2)CCO1.
What is the InChIKey of 4-(benzenesulfonyl)morpholine-2-carbothioamide?
The InChIKey is SCOBHEVOUPDRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c12-11(17)10-8-13(6-7-16-10)18(14,15)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,17).
What are the key properties of 4-(benzenesulfonyl)morpholine-2-carbothioamide?
4-(benzenesulfonyl)morpholine-2-carbothioamide has a molecular weight of 286.38 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)morpholine-2-carbothioamide is sourced from PubChem (CID 79674762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).