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

C14H22N2O4S — CID 107337100

IUPAC6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O4S/c1-19-7-3-2-6-16-21(17,18)13-10-12(15)9-11-5-4-8-20-14(11)13/h9-10,16H,2-8,15H2,1H3
InChIKeyZFLQSTMMYDQKHC-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.30
Rot. Bonds7

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

6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337100) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337100
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCOCCCCNS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O4S/c1-19-7-3-2-6-16-21(17,18)13-10-12(15)9-11-5-4-8-20-14(11)13/h9-10,16H,2-8,15H2,1H3
InChIKeyZFLQSTMMYDQKHC-UHFFFAOYSA-N
XLogP1.30
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337203
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
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-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
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-(2-methylcyclopentyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337125
6-amino-N-(1,2,4-triazin-3-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337282

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337100) is 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide is COCCCCNS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is ZFLQSTMMYDQKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-19-7-3-2-6-16-21(17,18)13-10-12(15)9-11-5-4-8-20-14(11)13/h9-10,16H,2-8,15H2,1H3.
What are the key properties of 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).