6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide

C13H20N2O3S — CID 107336952

IUPAC6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)15-19(16,17)11-8-10(14)7-9-5-4-6-18-12(9)11/h7-8,15H,4-6,14H2,1-3H3
InChIKeyQCLJCRWPPJRARA-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.67
Rot. Bonds2

About 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107336952) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107336952
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C13H20N2O3S/c1-13(2,3)15-19(16,17)11-8-10(14)7-9-5-4-6-18-12(9)11/h7-8,15H,4-6,14H2,1-3H3
InChIKeyQCLJCRWPPJRARA-UHFFFAOYSA-N
XLogP1.67
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337189
6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337203
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
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-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-(2-methylcyclopentyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337125
6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
6-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337267
6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337224
6-amino-N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337130

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107336952) is 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide is CC(C)(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is QCLJCRWPPJRARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2,3)15-19(16,17)11-8-10(14)7-9-5-4-6-18-12(9)11/h7-8,15H,4-6,14H2,1-3H3.
What are the key properties of 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107336952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).