2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide

C9H15N3O3S2 — CID 113482141

IUPAC2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1(C)CCOC1
InChIInChI=1S/C9H15N3O3S2/c1-6-7(16-8(10)11-6)17(13,14)12-9(2)3-4-15-5-9/h12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDBQOZOMWWUYBPY-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.49
Rot. Bonds3

About 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 113482141) has the molecular formula C9H15N3O3S2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide
PubChem CID113482141
Molecular FormulaC9H15N3O3S2
Molecular Weight277.37 g/mol
Exact Mass277.06
IUPAC Name2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC1(C)CCOC1
InChIInChI=1S/C9H15N3O3S2/c1-6-7(16-8(10)11-6)17(13,14)12-9(2)3-4-15-5-9/h12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyDBQOZOMWWUYBPY-UHFFFAOYSA-N
XLogP0.49
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methyl-N-(1-methylcyclohexyl)-1,3-thiazole-5-sulfonamide
CID 63946414
N-(1-adamantyl)-2-amino-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944408
2-amino-4-methyl-N-(oxan-4-yl)-1,3-thiazole-5-sulfonamide
CID 63945601
3-methyl-3-(sulfamoylamino)oxolane
CID 115766552
2-amino-N-(2,2-dimethylcyclohexyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 79878440
2-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 146122745
2-(aminomethyl)-4-methyl-N-(3-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754843
2-amino-4-methyl-N-(oxolan-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945815
N-(3-methyloxolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693380
ethane;N-(3-methyloxolan-3-yl)methanesulfonamide
CID 167494092
ethane;N-(3-methyloxolan-3-yl)methanesulfonamide
CID 167493461
5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614705

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide (CID 113482141) is 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC1(C)CCOC1.
What is the InChIKey of 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is DBQOZOMWWUYBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S2/c1-6-7(16-8(10)11-6)17(13,14)12-9(2)3-4-15-5-9/h12H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 277.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(3-methyloxolan-3-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 113482141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).