N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide

C15H32N2OS — CID 126513937

IUPACN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide
SMILESCNCC(CC(=O)NCC(C)(C)C)SCC(C)(C)C
InChIInChI=1S/C15H32N2OS/c1-14(2,3)10-17-13(18)8-12(9-16-7)19-11-15(4,5)6/h12,16H,8-11H2,1-7H3,(H,17,18)
InChIKeyFBGDBEOLLQTDEK-UHFFFAOYSA-N
MW288.50 g/mol
LogP2.91
Rot. Bonds7

About N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide

N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide (PubChem CID 126513937) has the molecular formula C15H32N2OS and a molecular weight of 288.50 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide
PubChem CID126513937
Molecular FormulaC15H32N2OS
Molecular Weight288.50 g/mol
Exact Mass288.22
IUPAC NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide
SMILESCNCC(CC(=O)NCC(C)(C)C)SCC(C)(C)C
InChIInChI=1S/C15H32N2OS/c1-14(2,3)10-17-13(18)8-12(9-16-7)19-11-15(4,5)6/h12,16H,8-11H2,1-7H3,(H,17,18)
InChIKeyFBGDBEOLLQTDEK-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide (CID 126513937) is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide is CNCC(CC(=O)NCC(C)(C)C)SCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide?
The InChIKey is FBGDBEOLLQTDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2OS/c1-14(2,3)10-17-13(18)8-12(9-16-7)19-11-15(4,5)6/h12,16H,8-11H2,1-7H3,(H,17,18).
What are the key properties of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide?
N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide has a molecular weight of 288.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)-4-(methylamino)butanamide is sourced from PubChem (CID 126513937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).