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

C11H17N3O5S2 — CID 107337040

IUPAC6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCCS(N)(=O)=O)c1)OCCC2
InChIInChI=1S/C11H17N3O5S2/c12-9-6-8-2-1-4-19-11(8)10(7-9)21(17,18)14-3-5-20(13,15)16/h6-7,14H,1-5,12H2,(H2,13,15,16)
InChIKeySRYXTBBMZGMLHQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.84
Rot. Bonds5

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

6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337040) has the molecular formula C11H17N3O5S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337040
Molecular FormulaC11H17N3O5S2
Molecular Weight335.41 g/mol
Exact Mass335.06
IUPAC Name6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESNc1cc2c(c(S(=O)(=O)NCCS(N)(=O)=O)c1)OCCC2
InChIInChI=1S/C11H17N3O5S2/c12-9-6-8-2-1-4-19-11(8)10(7-9)21(17,18)14-3-5-20(13,15)16/h6-7,14H,1-5,12H2,(H2,13,15,16)
InChIKeySRYXTBBMZGMLHQ-UHFFFAOYSA-N
XLogP-0.84
TPSA141.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336964
6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337100
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
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-morpholin-4-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337189
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
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-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337040) is 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is Nc1cc2c(c(S(=O)(=O)NCCS(N)(=O)=O)c1)OCCC2.
What is the InChIKey of 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is SRYXTBBMZGMLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S2/c12-9-6-8-2-1-4-19-11(8)10(7-9)21(17,18)14-3-5-20(13,15)16/h6-7,14H,1-5,12H2,(H2,13,15,16).
What are the key properties of 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).