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

C14H31NO2S — CID 126654305

IUPACN-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)COCCCS(=O)CCNC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-13(2,3)12-17-9-7-10-18(16)11-8-15-14(4,5)6/h15H,7-12H2,1-6H3
InChIKeyLZLWACXMRRUMGH-UHFFFAOYSA-N
MW277.47 g/mol
LogP2.58
Rot. Bonds8

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

N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine (PubChem CID 126654305) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine
PubChem CID126654305
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)COCCCS(=O)CCNC(C)(C)C
InChIInChI=1S/C14H31NO2S/c1-13(2,3)12-17-9-7-10-18(16)11-8-15-14(4,5)6/h15H,7-12H2,1-6H3
InChIKeyLZLWACXMRRUMGH-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine (CID 126654305) is N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)COCCCS(=O)CCNC(C)(C)C.
What is the InChIKey of N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is LZLWACXMRRUMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-13(2,3)12-17-9-7-10-18(16)11-8-15-14(4,5)6/h15H,7-12H2,1-6H3.
What are the key properties of N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine?
N-[2-[3-(2,2-dimethylpropoxy)propylsulfinyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 277.47 g/mol, XLogP of 2.58, 8 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-methylpropan-2-amine is sourced from PubChem (CID 126654305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).