(NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide

C11H21NOS — CID 168919403

IUPAC(NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide
SMILESC=CCC/C(CC)=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C11H21NOS/c1-6-8-9-10(7-2)12-14(13)11(3,4)5/h6H,1,7-9H2,2-5H3/b12-10+/t14-/m1/s1
InChIKeyPDJCGDILHFRUMN-IEZBTEQYSA-N
MW215.36 g/mol
LogP3.27
Rot. Bonds5

About (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide

(NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide (PubChem CID 168919403) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide
PubChem CID168919403
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name(NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide
SMILESC=CCC/C(CC)=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C11H21NOS/c1-6-8-9-10(7-2)12-14(13)11(3,4)5/h6H,1,7-9H2,2-5H3/b12-10+/t14-/m1/s1
InChIKeyPDJCGDILHFRUMN-IEZBTEQYSA-N
XLogP3.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.27
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 (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide (CID 168919403) is (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide is C=CCC/C(CC)=N/[S@](=O)C(C)(C)C.
What is the InChIKey of (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide?
The InChIKey is PDJCGDILHFRUMN-IEZBTEQYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-6-8-9-10(7-2)12-14(13)11(3,4)5/h6H,1,7-9H2,2-5H3/b12-10+/t14-/m1/s1.
What are the key properties of (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide?
(NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide has a molecular weight of 215.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-hept-6-en-3-ylidene-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 168919403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).