N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide

C11H21NO2S — CID 89030418

IUPACN-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCC(C=O)CC1
InChIInChI=1S/C11H21NO2S/c1-11(2,3)15(14)12-10-6-4-9(8-13)5-7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyWPQPUDBPNZOGRX-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.80
Rot. Bonds3

About N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide

N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide (PubChem CID 89030418) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide
PubChem CID89030418
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1CCC(C=O)CC1
InChIInChI=1S/C11H21NO2S/c1-11(2,3)15(14)12-10-6-4-9(8-13)5-7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyWPQPUDBPNZOGRX-UHFFFAOYSA-N
XLogP1.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide?
The IUPAC name of N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide (CID 89030418) is N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1CCC(C=O)CC1.
What is the InChIKey of N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide?
The InChIKey is WPQPUDBPNZOGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-11(2,3)15(14)12-10-6-4-9(8-13)5-7-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide?
N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide has a molecular weight of 231.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formylcyclohexyl)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89030418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).