(NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide

C14H19NO2S — CID 178178482

IUPAC(NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide
SMILESC[C@H]1C/C(=N\[S@@](=O)C(C)(C)C)c2ccccc2O1
InChIInChI=1S/C14H19NO2S/c1-10-9-12(15-18(16)14(2,3)4)11-7-5-6-8-13(11)17-10/h5-8,10H,9H2,1-4H3/b15-12+/t10-,18-/m0/s1
InChIKeyIRMHOYZCUPXJKL-PRHJVTADSA-N
MW265.38 g/mol
LogP3.11
Rot. Bonds1

About (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide

(NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide (PubChem CID 178178482) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide
PubChem CID178178482
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide
SMILESC[C@H]1C/C(=N\[S@@](=O)C(C)(C)C)c2ccccc2O1
InChIInChI=1S/C14H19NO2S/c1-10-9-12(15-18(16)14(2,3)4)11-7-5-6-8-13(11)17-10/h5-8,10H,9H2,1-4H3/b15-12+/t10-,18-/m0/s1
InChIKeyIRMHOYZCUPXJKL-PRHJVTADSA-N
XLogP3.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide?
The IUPAC name of (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide (CID 178178482) is (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide is C[C@H]1C/C(=N\[S@@](=O)C(C)(C)C)c2ccccc2O1.
What is the InChIKey of (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide?
The InChIKey is IRMHOYZCUPXJKL-PRHJVTADSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-9-12(15-18(16)14(2,3)4)11-7-5-6-8-13(11)17-10/h5-8,10H,9H2,1-4H3/b15-12+/t10-,18-/m0/s1.
What are the key properties of (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide?
(NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide has a molecular weight of 265.38 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-2-methyl-N-[(2S)-2-methyl-2,3-dihydrochromen-4-ylidene]propane-2-sulfinamide is sourced from PubChem (CID 178178482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).