2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile

C11H17N3OS — CID 106924746

IUPAC2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile
SMILESCc1coc(SCCCCC(C)(N)C#N)n1
InChIInChI=1S/C11H17N3OS/c1-9-7-15-10(14-9)16-6-4-3-5-11(2,13)8-12/h7H,3-6,13H2,1-2H3
InChIKeyMNEYTKSAVHALCJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile

2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile (PubChem CID 106924746) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile
PubChem CID106924746
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile
SMILESCc1coc(SCCCCC(C)(N)C#N)n1
InChIInChI=1S/C11H17N3OS/c1-9-7-15-10(14-9)16-6-4-3-5-11(2,13)8-12/h7H,3-6,13H2,1-2H3
InChIKeyMNEYTKSAVHALCJ-UHFFFAOYSA-N
XLogP2.49
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile?
The IUPAC name of 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile (CID 106924746) is 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile.
What is the SMILES notation for 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile?
The canonical SMILES for 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile is Cc1coc(SCCCCC(C)(N)C#N)n1.
What is the InChIKey of 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile?
The InChIKey is MNEYTKSAVHALCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9-7-15-10(14-9)16-6-4-3-5-11(2,13)8-12/h7H,3-6,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile?
2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile has a molecular weight of 239.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanenitrile is sourced from PubChem (CID 106924746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).