(R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide

C12H23NOS — CID 123719787

IUPAC(R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide
SMILESCC(C)=CCCC(C)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H23NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8H,7,9H2,1-6H3/t15-/m1/s1
InChIKeyUNULCATWJISIQL-OAHLLOKOSA-N
MW229.39 g/mol
LogP3.66
Rot. Bonds4

About (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide

(R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide (PubChem CID 123719787) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide
PubChem CID123719787
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name(R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide
SMILESCC(C)=CCCC(C)=N[S@](=O)C(C)(C)C
InChIInChI=1S/C12H23NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8H,7,9H2,1-6H3/t15-/m1/s1
InChIKeyUNULCATWJISIQL-OAHLLOKOSA-N
XLogP3.66
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide (CID 123719787) is (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide is CC(C)=CCCC(C)=N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
The InChIKey is UNULCATWJISIQL-OAHLLOKOSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(2)8-7-9-11(3)13-15(14)12(4,5)6/h8H,7,9H2,1-6H3/t15-/m1/s1.
What are the key properties of (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide?
(R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide has a molecular weight of 229.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-(6-methylhept-5-en-2-ylidene)propane-2-sulfinamide is sourced from PubChem (CID 123719787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).