6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide

C14H22N2O4S — CID 107337203

IUPAC6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O4S/c1-14(2,19-3)9-16-21(17,18)12-8-11(15)7-10-5-4-6-20-13(10)12/h7-8,16H,4-6,9,15H2,1-3H3
InChIKeyORIOYQIQMRAAIV-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.30
Rot. Bonds5

About 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337203) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337203
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOC(C)(C)CNS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O4S/c1-14(2,19-3)9-16-21(17,18)12-8-11(15)7-10-5-4-6-20-13(10)12/h7-8,16H,4-6,9,15H2,1-3H3
InChIKeyORIOYQIQMRAAIV-UHFFFAOYSA-N
XLogP1.30
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337100
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336964
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337158
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
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-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337241
6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337189

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337203) is 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide is COC(C)(C)CNS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is ORIOYQIQMRAAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,19-3)9-16-21(17,18)12-8-11(15)7-10-5-4-6-20-13(10)12/h7-8,16H,4-6,9,15H2,1-3H3.
What are the key properties of 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).