2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide

C8H13N3O2S2 — CID 75377046

IUPAC2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCN(c1ncc(S(N)(=O)=O)s1)C1CCC1
InChIInChI=1S/C8H13N3O2S2/c1-11(6-3-2-4-6)8-10-5-7(14-8)15(9,12)13/h5-6H,2-4H2,1H3,(H2,9,12,13)
InChIKeyBIRKJRRSOSPZLF-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.78
Rot. Bonds3

About 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide

2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide (PubChem CID 75377046) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide
PubChem CID75377046
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCN(c1ncc(S(N)(=O)=O)s1)C1CCC1
InChIInChI=1S/C8H13N3O2S2/c1-11(6-3-2-4-6)8-10-5-7(14-8)15(9,12)13/h5-6H,2-4H2,1H3,(H2,9,12,13)
InChIKeyBIRKJRRSOSPZLF-UHFFFAOYSA-N
XLogP0.78
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide (CID 75377046) is 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide is CN(c1ncc(S(N)(=O)=O)s1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is BIRKJRRSOSPZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-11(6-3-2-4-6)8-10-5-7(14-8)15(9,12)13/h5-6H,2-4H2,1H3,(H2,9,12,13).
What are the key properties of 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide?
2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(methyl)amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 75377046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).