(NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide

C9H13NO2S — CID 10488227

IUPAC(NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccco1
InChIInChI=1S/C9H13NO2S/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h4-7H,1-3H3/b10-7+/t13-/m1/s1
InChIKeyASZIYPFMBMZONN-UTSBKAFOSA-N
MW199.28 g/mol
LogP2.16
Rot. Bonds2

About (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide

(NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 10488227) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide
PubChem CID10488227
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name(NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C/c1ccco1
InChIInChI=1S/C9H13NO2S/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h4-7H,1-3H3/b10-7+/t13-/m1/s1
InChIKeyASZIYPFMBMZONN-UTSBKAFOSA-N
XLogP2.16
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide (CID 10488227) is (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C/c1ccco1.
What is the InChIKey of (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is ASZIYPFMBMZONN-UTSBKAFOSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-9(2,3)13(11)10-7-8-5-4-6-12-8/h4-7H,1-3H3/b10-7+/t13-/m1/s1.
What are the key properties of (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide?
(NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 199.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-N-(furan-2-ylmethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 10488227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).