2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide

C8H14N4O3S2 — CID 115976448

IUPAC2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCc1nsc(NC(=O)C(N)CCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O3S2/c1-5-10-8(16-12-5)11-7(13)6(9)3-4-17(2,14)15/h6H,3-4,9H2,1-2H3,(H,10,11,12,13)
InChIKeyOFIOIHLVAVFNGR-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.45
Rot. Bonds5

About 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide

2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (PubChem CID 115976448) has the molecular formula C8H14N4O3S2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
PubChem CID115976448
Molecular FormulaC8H14N4O3S2
Molecular Weight278.36 g/mol
Exact Mass278.05
IUPAC Name2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
SMILESCc1nsc(NC(=O)C(N)CCS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O3S2/c1-5-10-8(16-12-5)11-7(13)6(9)3-4-17(2,14)15/h6H,3-4,9H2,1-2H3,(H,10,11,12,13)
InChIKeyOFIOIHLVAVFNGR-UHFFFAOYSA-N
XLogP-0.45
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide (CID 115976448) is 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is Cc1nsc(NC(=O)C(N)CCS(C)(=O)=O)n1.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
The InChIKey is OFIOIHLVAVFNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S2/c1-5-10-8(16-12-5)11-7(13)6(9)3-4-17(2,14)15/h6H,3-4,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide?
2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide has a molecular weight of 278.36 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide is sourced from PubChem (CID 115976448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).