[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

C16H17NO3S — CID 58869146

IUPAC[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C16H17NO3S/c17-11-13-8-6-12-7-9-15(10-16(12)20-13)21(18,19)14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11,17H2/t13-/m1/s1
InChIKeyYDZRLAFCRFDPGU-CYBMUJFWSA-N
MW303.38 g/mol
LogP2.17
Rot. Bonds3

About [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine

[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 58869146) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID58869146
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESNC[C@H]1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1
InChIInChI=1S/C16H17NO3S/c17-11-13-8-6-12-7-9-15(10-16(12)20-13)21(18,19)14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11,17H2/t13-/m1/s1
InChIKeyYDZRLAFCRFDPGU-CYBMUJFWSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 58869146) is [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is NC[C@H]1CCc2ccc(S(=O)(=O)c3ccccc3)cc2O1.
What is the InChIKey of [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is YDZRLAFCRFDPGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO3S/c17-11-13-8-6-12-7-9-15(10-16(12)20-13)21(18,19)14-4-2-1-3-5-14/h1-5,7,9-10,13H,6,8,11,17H2/t13-/m1/s1.
What are the key properties of [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine?
[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 303.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 58869146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).