(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide

C14H22N2O2S — CID 156776974

IUPAC(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide
SMILESC/C(=N/[S@@](=O)C(C)(C)C)c1ccc(OC(C)C)nc1
InChIInChI=1S/C14H22N2O2S/c1-10(2)18-13-8-7-12(9-15-13)11(3)16-19(17)14(4,5)6/h7-10H,1-6H3/b16-11-/t19-/m0/s1
InChIKeyTXVJYKASNRCCMS-QMDZLVRISA-N
MW282.41 g/mol
LogP3.14
Rot. Bonds4

About (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide

(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide (PubChem CID 156776974) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide
PubChem CID156776974
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide
SMILESC/C(=N/[S@@](=O)C(C)(C)C)c1ccc(OC(C)C)nc1
InChIInChI=1S/C14H22N2O2S/c1-10(2)18-13-8-7-12(9-15-13)11(3)16-19(17)14(4,5)6/h7-10H,1-6H3/b16-11-/t19-/m0/s1
InChIKeyTXVJYKASNRCCMS-QMDZLVRISA-N
XLogP3.14
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide?
The IUPAC name of (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide (CID 156776974) is (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide.
What is the SMILES notation for (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide?
The canonical SMILES for (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide is C/C(=N/[S@@](=O)C(C)(C)C)c1ccc(OC(C)C)nc1.
What is the InChIKey of (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide?
The InChIKey is TXVJYKASNRCCMS-QMDZLVRISA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(2)18-13-8-7-12(9-15-13)11(3)16-19(17)14(4,5)6/h7-10H,1-6H3/b16-11-/t19-/m0/s1.
What are the key properties of (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide?
(NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide has a molecular weight of 282.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,S)-2-methyl-N-[1-(6-propan-2-yloxy-3-pyridinyl)ethylidene]propane-2-sulfinamide is sourced from PubChem (CID 156776974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).