6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide

C13H21N3O3S — CID 107336964

IUPAC6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C13H21N3O3S/c1-16(2)6-5-15-20(17,18)12-9-11(14)8-10-4-3-7-19-13(10)12/h8-9,15H,3-7,14H2,1-2H3
InChIKeyMHWRTXXRCIDOLP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.43
Rot. Bonds5

About 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107336964) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107336964
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C13H21N3O3S/c1-16(2)6-5-15-20(17,18)12-9-11(14)8-10-4-3-7-19-13(10)12/h8-9,15H,3-7,14H2,1-2H3
InChIKeyMHWRTXXRCIDOLP-UHFFFAOYSA-N
XLogP0.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-N-[2-(dimethylamino)ethyl]-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-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337100
6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337203
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
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-(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-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337220
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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107336964) is 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide is CN(C)CCNS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is MHWRTXXRCIDOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-16(2)6-5-15-20(17,18)12-9-11(14)8-10-4-3-7-19-13(10)12/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of 6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.43, 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-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107336964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).