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

C8H17NOS — CID 11116574

IUPAC(NE,R)-N-butylidene-2-methylpropane-2-sulfinamide
SMILESCCC/C=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-5-6-7-9-11(10)8(2,3)4/h7H,5-6H2,1-4H3/b9-7+/t11-/m1/s1
InChIKeyZBFJREMTWBYHFO-MXMFLMJRSA-N
MW175.30 g/mol
LogP2.32
Rot. Bonds3

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

(NE,R)-N-butylidene-2-methylpropane-2-sulfinamide (PubChem CID 11116574) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-butylidene-2-methylpropane-2-sulfinamide
PubChem CID11116574
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name(NE,R)-N-butylidene-2-methylpropane-2-sulfinamide
SMILESCCC/C=N/[S@](=O)C(C)(C)C
InChIInChI=1S/C8H17NOS/c1-5-6-7-9-11(10)8(2,3)4/h7H,5-6H2,1-4H3/b9-7+/t11-/m1/s1
InChIKeyZBFJREMTWBYHFO-MXMFLMJRSA-N
XLogP2.32
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 52.32
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-butylidene-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide (CID 11116574) is (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide is CCC/C=N/[S@](=O)C(C)(C)C.
What is the InChIKey of (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide?
The InChIKey is ZBFJREMTWBYHFO-MXMFLMJRSA-N. The full InChI is InChI=1S/C8H17NOS/c1-5-6-7-9-11(10)8(2,3)4/h7H,5-6H2,1-4H3/b9-7+/t11-/m1/s1.
What are the key properties of (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide?
(NE,R)-N-butylidene-2-methylpropane-2-sulfinamide has a molecular weight of 175.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-butylidene-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 11116574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).