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

C7H12N4O3S2 — CID 3313772

IUPACN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
SMILESCCCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H12N4O3S2/c1-3-4-5(12)9-6-11(2)10-7(15-6)16(8,13)14/h3-4H2,1-2H3,(H2,8,13,14)/b9-6-
InChIKeyNLHUFEGTJFIFQJ-TWGQIWQCSA-N
MW264.33 g/mol
LogP-0.64
Rot. Bonds3

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

N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide (PubChem CID 3313772) has the molecular formula C7H12N4O3S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide.

Molecular Properties

Compound NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
PubChem CID3313772
Molecular FormulaC7H12N4O3S2
Molecular Weight264.33 g/mol
Exact Mass264.04
IUPAC NameN-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide
SMILESCCCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C
InChIInChI=1S/C7H12N4O3S2/c1-3-4-5(12)9-6-11(2)10-7(15-6)16(8,13)14/h3-4H2,1-2H3,(H2,8,13,14)/b9-6-
InChIKeyNLHUFEGTJFIFQJ-TWGQIWQCSA-N
XLogP-0.64
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
The IUPAC name of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide (CID 3313772) is N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide.
What is the SMILES notation for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
The canonical SMILES for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide is CCCC(=O)/N=c1\sc(S(N)(=O)=O)nn1C.
What is the InChIKey of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
The InChIKey is NLHUFEGTJFIFQJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C7H12N4O3S2/c1-3-4-5(12)9-6-11(2)10-7(15-6)16(8,13)14/h3-4H2,1-2H3,(H2,8,13,14)/b9-6-.
What are the key properties of N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide?
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide has a molecular weight of 264.33 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)butanamide is sourced from PubChem (CID 3313772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).