(R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide

C13H19NO2S — CID 25132835

IUPAC(R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide
SMILESC#CC[C@H](N[S@](=O)C(C)(C)C)c1ccc(C)o1
InChIInChI=1S/C13H19NO2S/c1-6-7-11(12-9-8-10(2)16-12)14-17(15)13(3,4)5/h1,8-9,11,14H,7H2,2-5H3/t11-,17+/m0/s1
InChIKeyVOHNAQDLACVJLY-APPDUMDISA-N
MW253.37 g/mol
LogP2.70
Rot. Bonds4

About (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide (PubChem CID 25132835) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide
PubChem CID25132835
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide
SMILESC#CC[C@H](N[S@](=O)C(C)(C)C)c1ccc(C)o1
InChIInChI=1S/C13H19NO2S/c1-6-7-11(12-9-8-10(2)16-12)14-17(15)13(3,4)5/h1,8-9,11,14H,7H2,2-5H3/t11-,17+/m0/s1
InChIKeyVOHNAQDLACVJLY-APPDUMDISA-N
XLogP2.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide (CID 25132835) is (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide is C#CC[C@H](N[S@](=O)C(C)(C)C)c1ccc(C)o1.
What is the InChIKey of (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide?
The InChIKey is VOHNAQDLACVJLY-APPDUMDISA-N. The full InChI is InChI=1S/C13H19NO2S/c1-6-7-11(12-9-8-10(2)16-12)14-17(15)13(3,4)5/h1,8-9,11,14H,7H2,2-5H3/t11-,17+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide has a molecular weight of 253.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1S)-1-(5-methylfuran-2-yl)but-3-ynyl]propane-2-sulfinamide is sourced from PubChem (CID 25132835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).