N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide

C6H10N4O3S3 — CID 23645369

IUPACN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide
SMILESCn1nc(S(N)(=O)=O)s/c1=N\C(=O)CCS
InChIInChI=1S/C6H10N4O3S3/c1-10-5(8-4(11)2-3-14)15-6(9-10)16(7,12)13/h14H,2-3H2,1H3,(H2,7,12,13)/b8-5-
InChIKeyPVJPCHXFBKNZDX-YVMONPNESA-N
MW282.37 g/mol
LogP-1.12
Rot. Bonds3

About N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide

N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide (PubChem CID 23645369) has the molecular formula C6H10N4O3S3 and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide
PubChem CID23645369
Molecular FormulaC6H10N4O3S3
Molecular Weight282.37 g/mol
Exact Mass281.99
IUPAC NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide
SMILESCn1nc(S(N)(=O)=O)s/c1=N\C(=O)CCS
InChIInChI=1S/C6H10N4O3S3/c1-10-5(8-4(11)2-3-14)15-6(9-10)16(7,12)13/h14H,2-3H2,1H3,(H2,7,12,13)/b8-5-
InChIKeyPVJPCHXFBKNZDX-YVMONPNESA-N
XLogP-1.12
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide?
The IUPAC name of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide (CID 23645369) is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide.
What is the SMILES notation for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide?
The canonical SMILES for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide is Cn1nc(S(N)(=O)=O)s/c1=N\C(=O)CCS.
What is the InChIKey of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide?
The InChIKey is PVJPCHXFBKNZDX-YVMONPNESA-N. The full InChI is InChI=1S/C6H10N4O3S3/c1-10-5(8-4(11)2-3-14)15-6(9-10)16(7,12)13/h14H,2-3H2,1H3,(H2,7,12,13)/b8-5-.
What are the key properties of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide?
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide has a molecular weight of 282.37 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)-3-sulfanylpropanamide is sourced from PubChem (CID 23645369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).