6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide

C17H21N3O3S — CID 133363305

IUPAC6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC(C)(C)Oc3ccccc32)nc1
InChIInChI=1S/C17H21N3O3S/c1-17(2)10-14(13-6-4-5-7-15(13)23-17)20-16-9-8-12(11-19-16)24(21,22)18-3/h4-9,11,14,18H,10H2,1-3H3,(H,19,20)
InChIKeyPXYMTHIAHCNNTM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.70
Rot. Bonds4

About 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide

6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide (PubChem CID 133363305) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide
PubChem CID133363305
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC(C)(C)Oc3ccccc32)nc1
InChIInChI=1S/C17H21N3O3S/c1-17(2)10-14(13-6-4-5-7-15(13)23-17)20-16-9-8-12(11-19-16)24(21,22)18-3/h4-9,11,14,18H,10H2,1-3H3,(H,19,20)
InChIKeyPXYMTHIAHCNNTM-UHFFFAOYSA-N
XLogP2.70
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopent-3-en-1-ylamino)-N-methylpyridine-3-sulfonamide
CID 133362208
2,2-dimethyl-N-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydrochromen-4-amine
CID 133363308
2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 124569374
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-fluorobenzenesulfonamide
CID 70398433
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
CID 81141496
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 132672578
N-cycloheptyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81137115
2,2-dimethyl-N-(4-methylsulfanylphenyl)-3,4-dihydrochromen-4-amine
CID 81139369
2,2-dimethyl-N-thiophen-3-yl-3,4-dihydrochromen-4-amine
CID 81142463
N-[5-[[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100531035
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 46975971

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide (CID 133363305) is 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NC2CC(C)(C)Oc3ccccc32)nc1.
What is the InChIKey of 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide?
The InChIKey is PXYMTHIAHCNNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(2)10-14(13-6-4-5-7-15(13)23-17)20-16-9-8-12(11-19-16)24(21,22)18-3/h4-9,11,14,18H,10H2,1-3H3,(H,19,20).
What are the key properties of 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide?
6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide has a molecular weight of 347.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133363305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).