(4-sulfamoylanilino) morpholine-4-carbodithioate

C11H15N3O3S3 — CID 10019750

IUPAC(4-sulfamoylanilino) morpholine-4-carbodithioate
SMILESNS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1
InChIInChI=1S/C11H15N3O3S3/c12-20(15,16)10-3-1-9(2-4-10)13-19-11(18)14-5-7-17-8-6-14/h1-4,13H,5-8H2,(H2,12,15,16)
InChIKeyDKRVZNFSWMWIPT-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.01
Rot. Bonds3

About (4-sulfamoylanilino) morpholine-4-carbodithioate

(4-sulfamoylanilino) morpholine-4-carbodithioate (PubChem CID 10019750) has the molecular formula C11H15N3O3S3 and a molecular weight of 333.46 g/mol. Its IUPAC name is (4-sulfamoylanilino) morpholine-4-carbodithioate.

Molecular Properties

Compound Name(4-sulfamoylanilino) morpholine-4-carbodithioate
PubChem CID10019750
Molecular FormulaC11H15N3O3S3
Molecular Weight333.46 g/mol
Exact Mass333.03
IUPAC Name(4-sulfamoylanilino) morpholine-4-carbodithioate
SMILESNS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1
InChIInChI=1S/C11H15N3O3S3/c12-20(15,16)10-3-1-9(2-4-10)13-19-11(18)14-5-7-17-8-6-14/h1-4,13H,5-8H2,(H2,12,15,16)
InChIKeyDKRVZNFSWMWIPT-UHFFFAOYSA-N
XLogP1.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholinosulfonyl)aniline
CID 210794
4-(4-Methylpiperazine-1-sulfonyl)aniline
CID 567261
4-(Piperidine-1-sulfonyl)aniline
CID 236648
[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylanilino] morpholine-4-carbodithioate
CID 44269005
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 2105725
N-(2-Morpholin-4-yl-ethyl)-4-nitro-benzenesulfonamide
CID 743362
Benzenesulfonamide, 4-amino-N-[2-(4-morpholinyl)ethyl]-
CID 120569
4-[(4-Isothiocyanatophenyl)sulfonyl]morpholine
CID 3725513
4-[(4-Nitrophenyl)sulfonyl]morpholine
CID 236269
3-(Morpholine-4-sulfonyl)aniline
CID 559410
1,1-Bis[3-(dimethylamino)propyl]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 5156184

Frequently Asked Questions

What is the IUPAC name of (4-sulfamoylanilino) morpholine-4-carbodithioate?
The IUPAC name of (4-sulfamoylanilino) morpholine-4-carbodithioate (CID 10019750) is (4-sulfamoylanilino) morpholine-4-carbodithioate.
What is the SMILES notation for (4-sulfamoylanilino) morpholine-4-carbodithioate?
The canonical SMILES for (4-sulfamoylanilino) morpholine-4-carbodithioate is NS(=O)(=O)c1ccc(NSC(=S)N2CCOCC2)cc1.
What is the InChIKey of (4-sulfamoylanilino) morpholine-4-carbodithioate?
The InChIKey is DKRVZNFSWMWIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S3/c12-20(15,16)10-3-1-9(2-4-10)13-19-11(18)14-5-7-17-8-6-14/h1-4,13H,5-8H2,(H2,12,15,16).
What are the key properties of (4-sulfamoylanilino) morpholine-4-carbodithioate?
(4-sulfamoylanilino) morpholine-4-carbodithioate has a molecular weight of 333.46 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfamoylanilino) morpholine-4-carbodithioate is sourced from PubChem (CID 10019750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).