N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide

C13H28N2OS — CID 126549375

IUPACN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide
SMILESCNC(SCC(C)(C)C)C(=O)NCC(C)(C)C
InChIInChI=1S/C13H28N2OS/c1-12(2,3)8-15-10(16)11(14-7)17-9-13(4,5)6/h11,14H,8-9H2,1-7H3,(H,15,16)
InChIKeyCVTAROBSONEHQI-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.47
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide

N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide (PubChem CID 126549375) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide
PubChem CID126549375
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC NameN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide
SMILESCNC(SCC(C)(C)C)C(=O)NCC(C)(C)C
InChIInChI=1S/C13H28N2OS/c1-12(2,3)8-15-10(16)11(14-7)17-9-13(4,5)6/h11,14H,8-9H2,1-7H3,(H,15,16)
InChIKeyCVTAROBSONEHQI-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide (CID 126549375) is N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide is CNC(SCC(C)(C)C)C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide?
The InChIKey is CVTAROBSONEHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-12(2,3)8-15-10(16)11(14-7)17-9-13(4,5)6/h11,14H,8-9H2,1-7H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide?
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide has a molecular weight of 260.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide is sourced from PubChem (CID 126549375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).