3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide

C9H20N2OS — CID 88553400

IUPAC3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide
SMILESCN(C)CCSCC(C)(C)C(N)=O
InChIInChI=1S/C9H20N2OS/c1-9(2,8(10)12)7-13-6-5-11(3)4/h5-7H2,1-4H3,(H2,10,12)
InChIKeyUQQBNNKFBYXJFJ-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.79
Rot. Bonds6

About 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide

3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide (PubChem CID 88553400) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide
PubChem CID88553400
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide
SMILESCN(C)CCSCC(C)(C)C(N)=O
InChIInChI=1S/C9H20N2OS/c1-9(2,8(10)12)7-13-6-5-11(3)4/h5-7H2,1-4H3,(H2,10,12)
InChIKeyUQQBNNKFBYXJFJ-UHFFFAOYSA-N
XLogP0.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.79
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 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide (CID 88553400) is 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide is CN(C)CCSCC(C)(C)C(N)=O.
What is the InChIKey of 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide?
The InChIKey is UQQBNNKFBYXJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-9(2,8(10)12)7-13-6-5-11(3)4/h5-7H2,1-4H3,(H2,10,12).
What are the key properties of 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide?
3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide has a molecular weight of 204.34 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylsulfanyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 88553400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).