6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

C12H13N3O3S2 — CID 107336949

IUPAC6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)Nc3nccs3)c1)OCCC2
InChIInChI=1S/C12H13N3O3S2/c13-9-6-8-2-1-4-18-11(8)10(7-9)20(16,17)15-12-14-3-5-19-12/h3,5-7H,1-2,4,13H2,(H,14,15)
InChIKeySROGBNHFOYGTRJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.85
Rot. Bonds3

About 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107336949) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107336949
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)Nc3nccs3)c1)OCCC2
InChIInChI=1S/C12H13N3O3S2/c13-9-6-8-2-1-4-18-11(8)10(7-9)20(16,17)15-12-14-3-5-19-12/h3,5-7H,1-2,4,13H2,(H,14,15)
InChIKeySROGBNHFOYGTRJ-UHFFFAOYSA-N
XLogP1.85
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337267
6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337189
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337203
6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337241
2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256872
6-amino-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337010
2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 64899112
2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
4-oxo-N-(1,3-thiazol-2-yl)-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759128

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107336949) is 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is Nc1cc2c(c(S(=O)(=O)Nc3nccs3)c1)OCCC2.
What is the InChIKey of 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is SROGBNHFOYGTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c13-9-6-8-2-1-4-18-11(8)10(7-9)20(16,17)15-12-14-3-5-19-12/h3,5-7H,1-2,4,13H2,(H,14,15).
What are the key properties of 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 311.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107336949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).