[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide

C11H15NO3S — CID 165409949

IUPAC[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
SMILESC[C@@H]1C[C@@H](CS(N)(=O)=O)c2ccccc2O1
InChIInChI=1S/C11H15NO3S/c1-8-6-9(7-16(12,13)14)10-4-2-3-5-11(10)15-8/h2-5,8-9H,6-7H2,1H3,(H2,12,13,14)/t8-,9+/m1/s1
InChIKeyORVQAHNZBHJCTJ-BDAKNGLRSA-N
MW241.31 g/mol
LogP1.23
Rot. Bonds2

About [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide

[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide (PubChem CID 165409949) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
PubChem CID165409949
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
SMILESC[C@@H]1C[C@@H](CS(N)(=O)=O)c2ccccc2O1
InChIInChI=1S/C11H15NO3S/c1-8-6-9(7-16(12,13)14)10-4-2-3-5-11(10)15-8/h2-5,8-9H,6-7H2,1H3,(H2,12,13,14)/t8-,9+/m1/s1
InChIKeyORVQAHNZBHJCTJ-BDAKNGLRSA-N
XLogP1.23
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
The IUPAC name of [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide (CID 165409949) is [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide.
What is the SMILES notation for [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
The canonical SMILES for [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide is C[C@@H]1C[C@@H](CS(N)(=O)=O)c2ccccc2O1.
What is the InChIKey of [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
The InChIKey is ORVQAHNZBHJCTJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8-6-9(7-16(12,13)14)10-4-2-3-5-11(10)15-8/h2-5,8-9H,6-7H2,1H3,(H2,12,13,14)/t8-,9+/m1/s1.
What are the key properties of [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide?
[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide is sourced from PubChem (CID 165409949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).