6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide

C12H18N2O4S — CID 107337304

IUPAC6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C12H18N2O4S/c1-8(7-15)14-19(16,17)11-6-10(13)5-9-3-2-4-18-12(9)11/h5-6,8,14-15H,2-4,7,13H2,1H3/t8-/m1/s1
InChIKeyXHGPFQBMRHFAKG-MRVPVSSYSA-N
MW286.35 g/mol
LogP0.25
Rot. Bonds4

About 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide

6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide (PubChem CID 107337304) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
PubChem CID107337304
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1cc(N)cc2c1OCCC2
InChIInChI=1S/C12H18N2O4S/c1-8(7-15)14-19(16,17)11-6-10(13)5-9-3-2-4-18-12(9)11/h5-6,8,14-15H,2-4,7,13H2,1H3/t8-/m1/s1
InChIKeyXHGPFQBMRHFAKG-MRVPVSSYSA-N
XLogP0.25
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(4-hydroxybutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337191
6-amino-N-pent-4-yn-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337224
6-amino-N-(2-hydroxypropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337032
6-amino-N-but-3-en-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337228
6-amino-N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337158
6-amino-N-(1-methylsulfanylbutan-2-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337241
6-amino-N-tert-butyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336952
6-amino-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107336964
6-amino-N-(2-sulfamoylethyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337040
6-amino-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337010
6-amino-N-(2-methoxy-2-methylpropyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337203
6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337220

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The IUPAC name of 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide (CID 107337304) is 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide.
What is the SMILES notation for 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The canonical SMILES for 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide is C[C@H](CO)NS(=O)(=O)c1cc(N)cc2c1OCCC2.
What is the InChIKey of 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide?
The InChIKey is XHGPFQBMRHFAKG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8(7-15)14-19(16,17)11-6-10(13)5-9-3-2-4-18-12(9)11/h5-6,8,14-15H,2-4,7,13H2,1H3/t8-/m1/s1.
What are the key properties of 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide?
6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2R)-1-hydroxypropan-2-yl]-3,4-dihydro-2H-chromene-8-sulfonamide is sourced from PubChem (CID 107337304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).