N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine

C15H33NO2S — CID 146179339

IUPACN-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCS(=O)CCCOCC(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-14(2,3)12-16-8-11-19(17)10-7-9-18-13-15(4,5)6/h16H,7-13H2,1-6H3
InChIKeyZIZJOJQXDBRZBM-UHFFFAOYSA-N
MW291.50 g/mol
LogP2.82
Rot. Bonds9

About N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine

N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 146179339) has the molecular formula C15H33NO2S and a molecular weight of 291.50 g/mol. Its IUPAC name is N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine
PubChem CID146179339
Molecular FormulaC15H33NO2S
Molecular Weight291.50 g/mol
Exact Mass291.22
IUPAC NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCCS(=O)CCCOCC(C)(C)C
InChIInChI=1S/C15H33NO2S/c1-14(2,3)12-16-8-11-19(17)10-7-9-18-13-15(4,5)6/h16H,7-13H2,1-6H3
InChIKeyZIZJOJQXDBRZBM-UHFFFAOYSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine (CID 146179339) is N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCCS(=O)CCCOCC(C)(C)C.
What is the InChIKey of N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is ZIZJOJQXDBRZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2S/c1-14(2,3)12-16-8-11-19(17)10-7-9-18-13-15(4,5)6/h16H,7-13H2,1-6H3.
What are the key properties of N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine?
N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 146179339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).