(R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide

C16H23NO2S — CID 139043954

IUPAC(R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H]1COc2ccc(C)cc2[C@H]1N[S@](=O)C(C)(C)C
InChIInChI=1S/C16H23NO2S/c1-6-12-10-19-14-8-7-11(2)9-13(14)15(12)17-20(18)16(3,4)5/h6-9,12,15,17H,1,10H2,2-5H3/t12-,15-,20+/m0/s1
InChIKeyXVBQROPDUGXUOQ-NRKGENKXSA-N
MW293.43 g/mol
LogP3.28
Rot. Bonds3

About (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 139043954) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID139043954
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name(R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@H]1COc2ccc(C)cc2[C@H]1N[S@](=O)C(C)(C)C
InChIInChI=1S/C16H23NO2S/c1-6-12-10-19-14-8-7-11(2)9-13(14)15(12)17-20(18)16(3,4)5/h6-9,12,15,17H,1,10H2,2-5H3/t12-,15-,20+/m0/s1
InChIKeyXVBQROPDUGXUOQ-NRKGENKXSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide (CID 139043954) is (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide is C=C[C@H]1COc2ccc(C)cc2[C@H]1N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is XVBQROPDUGXUOQ-NRKGENKXSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-6-12-10-19-14-8-7-11(2)9-13(14)15(12)17-20(18)16(3,4)5/h6-9,12,15,17H,1,10H2,2-5H3/t12-,15-,20+/m0/s1.
What are the key properties of (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 293.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(3R,4S)-3-ethenyl-6-methyl-3,4-dihydro-2H-chromen-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139043954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).