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

C11H16N2O3S — CID 82166349

IUPAC4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCNS(=O)(=O)c1cc(C)cc2c1OCCC2N
InChIInChI=1S/C11H16N2O3S/c1-7-5-8-9(12)3-4-16-11(8)10(6-7)17(14,15)13-2/h5-6,9,13H,3-4,12H2,1-2H3
InChIKeyMDCQAOCWSLOMPW-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.69
Rot. Bonds2

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

4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 82166349) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID82166349
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCNS(=O)(=O)c1cc(C)cc2c1OCCC2N
InChIInChI=1S/C11H16N2O3S/c1-7-5-8-9(12)3-4-16-11(8)10(6-7)17(14,15)13-2/h5-6,9,13H,3-4,12H2,1-2H3
InChIKeyMDCQAOCWSLOMPW-UHFFFAOYSA-N
XLogP0.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 82166349) is 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide is CNS(=O)(=O)c1cc(C)cc2c1OCCC2N.
What is the InChIKey of 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is MDCQAOCWSLOMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-5-8-9(12)3-4-16-11(8)10(6-7)17(14,15)13-2/h5-6,9,13H,3-4,12H2,1-2H3.
What are the key properties of 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide?
4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 256.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,6-dimethyl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 82166349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).