(NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide

C11H15NOS — CID 11171822

IUPAC(NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccccc1
InChIInChI=1S/C11H15NOS/c1-11(2,3)14(13)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+/t14-/m1/s1
InChIKeyKHEXSXPVKHWNOZ-BRADTZPFSA-N
MW209.31 g/mol
LogP2.57
Rot. Bonds2

About (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide

(NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide (PubChem CID 11171822) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide
PubChem CID11171822
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccccc1
InChIInChI=1S/C11H15NOS/c1-11(2,3)14(13)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+/t14-/m1/s1
InChIKeyKHEXSXPVKHWNOZ-BRADTZPFSA-N
XLogP2.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,R)-N-benzylidene-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide (CID 11171822) is (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1ccccc1.
What is the InChIKey of (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide?
The InChIKey is KHEXSXPVKHWNOZ-BRADTZPFSA-N. The full InChI is InChI=1S/C11H15NOS/c1-11(2,3)14(13)12-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9+/t14-/m1/s1.
What are the key properties of (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide?
(NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide has a molecular weight of 209.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-benzylidene-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11171822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).