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

C13H19N3O4S — CID 107337189

IUPAC6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NN3CCOCC3)c1)OCCC2
InChIInChI=1S/C13H19N3O4S/c14-11-8-10-2-1-5-20-13(10)12(9-11)21(17,18)15-16-3-6-19-7-4-16/h8-9,15H,1-7,14H2
InChIKeyDVIAWGVIVOVRJH-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.12
Rot. Bonds3

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

6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337189) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337189
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NN3CCOCC3)c1)OCCC2
InChIInChI=1S/C13H19N3O4S/c14-11-8-10-2-1-5-20-13(10)12(9-11)21(17,18)15-16-3-6-19-7-4-16/h8-9,15H,1-7,14H2
InChIKeyDVIAWGVIVOVRJH-UHFFFAOYSA-N
XLogP0.12
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337288
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337304
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-methylcyclopentyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337125
6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337203
6-amino-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336949
6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
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-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337189) is 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide is Nc1cc2c(c(S(=O)(=O)NN3CCOCC3)c1)OCCC2.
What is the InChIKey of 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is DVIAWGVIVOVRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c14-11-8-10-2-1-5-20-13(10)12(9-11)21(17,18)15-16-3-6-19-7-4-16/h8-9,15H,1-7,14H2.
What are the key properties of 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).