6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide

C14H22N2O4S — CID 107337220

IUPAC6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O4S/c1-14(2,9-17)16(3)21(18,19)12-8-11(15)7-10-5-4-6-20-13(10)12/h7-8,17H,4-6,9,15H2,1-3H3
InChIKeyYREGREQCPAAUQV-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.99
Rot. Bonds4

About 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337220) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337220
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C14H22N2O4S/c1-14(2,9-17)16(3)21(18,19)12-8-11(15)7-10-5-4-6-20-13(10)12/h7-8,17H,4-6,9,15H2,1-3H3
InChIKeyYREGREQCPAAUQV-UHFFFAOYSA-N
XLogP0.99
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-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-(3,3-difluoro-2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 105641884
6-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 106165703
6-amino-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336996
6-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337059
6-amino-N-(3,3,3-trifluoropropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337123
6-amino-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337175
6-amino-N-(2,2-difluoroethyl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337254
3-Aminosulfonyl-4-methoxy-5-methylaniline
CID 57562912
N-(4-ethoxyphenyl)-2-hydroxy-3-methylbenzenesulfonamide
CID 67682643
[1-(5-Amino-2-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
CID 43662964
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55428644
5-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methoxybenzenesulfonamide
CID 62527437

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337220) is 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide is CN(C(C)(C)CO)S(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is YREGREQCPAAUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-14(2,9-17)16(3)21(18,19)12-8-11(15)7-10-5-4-6-20-13(10)12/h7-8,17H,4-6,9,15H2,1-3H3.
What are the key properties of 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).