2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide

C9H17N3O3S2 — CID 56805309

IUPAC2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)C(O)CNc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O3S2/c1-9(2,3)6(13)4-11-8-12-5-7(16-8)17(10,14)15/h5-6,13H,4H2,1-3H3,(H,11,12)(H2,10,14,15)
InChIKeyINMCGRMESFZBSK-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.61
Rot. Bonds4

About 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide

2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide (PubChem CID 56805309) has the molecular formula C9H17N3O3S2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide
PubChem CID56805309
Molecular FormulaC9H17N3O3S2
Molecular Weight279.39 g/mol
Exact Mass279.07
IUPAC Name2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCC(C)(C)C(O)CNc1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O3S2/c1-9(2,3)6(13)4-11-8-12-5-7(16-8)17(10,14)15/h5-6,13H,4H2,1-3H3,(H,11,12)(H2,10,14,15)
InChIKeyINMCGRMESFZBSK-UHFFFAOYSA-N
XLogP0.61
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide (CID 56805309) is 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide is CC(C)(C)C(O)CNc1ncc(S(N)(=O)=O)s1.
What is the InChIKey of 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is INMCGRMESFZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S2/c1-9(2,3)6(13)4-11-8-12-5-7(16-8)17(10,14)15/h5-6,13H,4H2,1-3H3,(H,11,12)(H2,10,14,15).
What are the key properties of 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide?
2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 279.39 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3,3-dimethylbutyl)amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 56805309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).