N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide

C6H8F3N5O5S3 — CID 10833817

IUPACN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)F)s1
InChIInChI=1S/C6H8F3N5O5S3/c7-6(8,9)22(18,19)11-2-1-3(15)12-4-13-14-5(20-4)21(10,16)17/h11H,1-2H2,(H2,10,16,17)(H,12,13,15)
InChIKeyDKDNNTGJSLIDOQ-UHFFFAOYSA-N
MW383.36 g/mol
LogP-1.05
Rot. Bonds6

About N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide (PubChem CID 10833817) has the molecular formula C6H8F3N5O5S3 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
PubChem CID10833817
Molecular FormulaC6H8F3N5O5S3
Molecular Weight383.36 g/mol
Exact Mass382.96
IUPAC NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)F)s1
InChIInChI=1S/C6H8F3N5O5S3/c7-6(8,9)22(18,19)11-2-1-3(15)12-4-13-14-5(20-4)21(10,16)17/h11H,1-2H2,(H2,10,16,17)(H,12,13,15)
InChIKeyDKDNNTGJSLIDOQ-UHFFFAOYSA-N
XLogP-1.05
TPSA161.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 101078048
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]nonanamide
CID 10580554
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 101078071
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
ethyl 6-oxo-6-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]hexanoate
CID 3083283
methyl N-[8-oxo-8-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]octyl]carbamate
CID 178065843
2-amino-N-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 10827620
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828

Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide?
The IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide (CID 10833817) is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide.
What is the SMILES notation for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide?
The canonical SMILES for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide is NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)C(F)(F)F)s1.
What is the InChIKey of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide?
The InChIKey is DKDNNTGJSLIDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5O5S3/c7-6(8,9)22(18,19)11-2-1-3(15)12-4-13-14-5(20-4)21(10,16)17/h11H,1-2H2,(H2,10,16,17)(H,12,13,15).
What are the key properties of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide?
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide has a molecular weight of 383.36 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide is sourced from PubChem (CID 10833817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).