2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide

C15H22N2OS — CID 144841012

IUPAC2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide
SMILESCNS(=O)C(C)(C)C.N#Cc1cccc2c1CCC2
InChIInChI=1S/C10H9N.C5H13NOS/c11-7-9-5-1-3-8-4-2-6-10(8)9;1-5(2,3)8(7)6-4/h1,3,5H,2,4,6H2;6H,1-4H3
InChIKeyMYAOIONYYDOZSD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.71
Rot. Bonds1

About 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide

2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide (PubChem CID 144841012) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide
PubChem CID144841012
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide
SMILESCNS(=O)C(C)(C)C.N#Cc1cccc2c1CCC2
InChIInChI=1S/C10H9N.C5H13NOS/c11-7-9-5-1-3-8-4-2-6-10(8)9;1-5(2,3)8(7)6-4/h1,3,5H,2,4,6H2;6H,1-4H3
InChIKeyMYAOIONYYDOZSD-UHFFFAOYSA-N
XLogP2.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide (CID 144841012) is 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide is CNS(=O)C(C)(C)C.N#Cc1cccc2c1CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide?
The InChIKey is MYAOIONYYDOZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C5H13NOS/c11-7-9-5-1-3-8-4-2-6-10(8)9;1-5(2,3)8(7)6-4/h1,3,5H,2,4,6H2;6H,1-4H3.
What are the key properties of 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide?
2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide has a molecular weight of 278.42 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-4-carbonitrile;N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 144841012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).