4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide

C14H22N2OS — CID 64710846

IUPAC4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)SCc1ccccc1)C(N)=O
InChIInChI=1S/C14H22N2OS/c1-11(9-14(2,16-3)13(15)17)18-10-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H2,15,17)
InChIKeyFWLYKHNYUVBGJI-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.16
Rot. Bonds7

About 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide

4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide (PubChem CID 64710846) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound Name4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
PubChem CID64710846
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide
SMILESCNC(C)(CC(C)SCc1ccccc1)C(N)=O
InChIInChI=1S/C14H22N2OS/c1-11(9-14(2,16-3)13(15)17)18-10-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H2,15,17)
InChIKeyFWLYKHNYUVBGJI-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide (CID 64710846) is 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide is CNC(C)(CC(C)SCc1ccccc1)C(N)=O.
What is the InChIKey of 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide?
The InChIKey is FWLYKHNYUVBGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(9-14(2,16-3)13(15)17)18-10-12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3,(H2,15,17).
What are the key properties of 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide?
4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide has a molecular weight of 266.41 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 64710846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).