4-amino-3,4-dihydro-2H-chromene-6-sulfonamide

C9H12N2O3S — CID 43186511

IUPAC4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESNC1CCOc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C9H12N2O3S/c10-8-3-4-14-9-2-1-6(5-7(8)9)15(11,12)13/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
InChIKeyJTJMHXFVFMHUJO-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.12
Rot. Bonds1

About 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide

4-amino-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 43186511) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound Name4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID43186511
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESNC1CCOc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C9H12N2O3S/c10-8-3-4-14-9-2-1-6(5-7(8)9)15(11,12)13/h1-2,5,8H,3-4,10H2,(H2,11,12,13)
InChIKeyJTJMHXFVFMHUJO-UHFFFAOYSA-N
XLogP0.12
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-6-methylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 131548792
cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512
oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102608652
ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65379594
4-amino-N-pyridin-3-yl-3,4-dihydro-2H-chromene-6-sulfonamide
CID 82166580
(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412144
(4R)-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844836
4-piperidin-1-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135336331
4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367733
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]propanoic acid
CID 165354380
6-phenoxy-3,4-dihydro-2H-chromen-4-amine
CID 43155037
2-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]acetonitrile
CID 130700557

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide (CID 43186511) is 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide is NC1CCOc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is JTJMHXFVFMHUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c10-8-3-4-14-9-2-1-6(5-7(8)9)15(11,12)13/h1-2,5,8H,3-4,10H2,(H2,11,12,13).
What are the key properties of 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide?
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 228.27 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 43186511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).