6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide

C13H18N2O3S — CID 107337228

IUPAC6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C13H18N2O3S/c1-3-9(2)15-19(16,17)12-8-11(14)7-10-5-4-6-18-13(10)12/h3,7-9,15H,1,4-6,14H2,2H3
InChIKeyRVUGQKFTXIXQHW-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.45
Rot. Bonds4

About 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337228) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337228
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESC=CC(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C13H18N2O3S/c1-3-9(2)15-19(16,17)12-8-11(14)7-10-5-4-6-18-13(10)12/h3,7-9,15H,1,4-6,14H2,2H3
InChIKeyRVUGQKFTXIXQHW-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337224
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-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337241
6-amino-N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337158
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-ethyl-N-propan-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337010
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337228) is 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide is C=CC(C)NS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is RVUGQKFTXIXQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-9(2)15-19(16,17)12-8-11(14)7-10-5-4-6-18-13(10)12/h3,7-9,15H,1,4-6,14H2,2H3.
What are the key properties of 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).