6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

C11H12N4O3S2 — CID 107337288

IUPAC6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)Nc3cnns3)c1)OCCC2
InChIInChI=1S/C11H12N4O3S2/c12-8-4-7-2-1-3-18-11(7)9(5-8)20(16,17)14-10-6-13-15-19-10/h4-6,14H,1-3,12H2
InChIKeyNVXFDGAQRPAWIX-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.25
Rot. Bonds3

About 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337288) has the molecular formula C11H12N4O3S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337288
Molecular FormulaC11H12N4O3S2
Molecular Weight312.38 g/mol
Exact Mass312.04
IUPAC Name6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)Nc3cnns3)c1)OCCC2
InChIInChI=1S/C11H12N4O3S2/c12-8-4-7-2-1-3-18-11(7)9(5-8)20(16,17)14-10-6-13-15-19-10/h4-6,14H,1-3,12H2
InChIKeyNVXFDGAQRPAWIX-UHFFFAOYSA-N
XLogP1.25
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336949
6-amino-N-(1,2,4-triazin-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337282
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337130
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
5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114274512
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336964
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337288) is 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is Nc1cc2c(c(S(=O)(=O)Nc3cnns3)c1)OCCC2.
What is the InChIKey of 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is NVXFDGAQRPAWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S2/c12-8-4-7-2-1-3-18-11(7)9(5-8)20(16,17)14-10-6-13-15-19-10/h4-6,14H,1-3,12H2.
What are the key properties of 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 312.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).