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

C7H14N6O5S3 — CID 101078048

IUPAC3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCN(C)S(=O)(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C7H14N6O5S3/c1-13(2)21(17,18)9-4-3-5(14)10-6-11-12-7(19-6)20(8,15)16/h9H,3-4H2,1-2H3,(H2,8,15,16)(H,10,11,14)
InChIKeyVQGDAYBWCIRURC-UHFFFAOYSA-N
MW358.43 g/mol
LogP-2.09
Rot. Bonds7

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

3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 101078048) has the molecular formula C7H14N6O5S3 and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID101078048
Molecular FormulaC7H14N6O5S3
Molecular Weight358.43 g/mol
Exact Mass358.02
IUPAC Name3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCN(C)S(=O)(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C7H14N6O5S3/c1-13(2)21(17,18)9-4-3-5(14)10-6-11-12-7(19-6)20(8,15)16/h9H,3-4H2,1-2H3,(H2,8,15,16)(H,10,11,14)
InChIKeyVQGDAYBWCIRURC-UHFFFAOYSA-N
XLogP-2.09
TPSA164.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 5-2.09
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

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
CID 10833817
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
3-[[2-[carbamimidoyl(methyl)amino]acetyl]amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 10594934
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
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
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
(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 10062976
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

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (CID 101078048) is 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is CN(C)S(=O)(=O)NCCC(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is VQGDAYBWCIRURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O5S3/c1-13(2)21(17,18)9-4-3-5(14)10-6-11-12-7(19-6)20(8,15)16/h9H,3-4H2,1-2H3,(H2,8,15,16)(H,10,11,14).
What are the key properties of 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 358.43 g/mol, XLogP of -2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 101078048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).