3,3-dimethyl-2-methylsulfanylpent-4-enamide

C8H15NOS — CID 12592988

IUPAC3,3-dimethyl-2-methylsulfanylpent-4-enamide
SMILESC=CC(C)(C)C(SC)C(N)=O
InChIInChI=1S/C8H15NOS/c1-5-8(2,3)6(11-4)7(9)10/h5-6H,1H2,2-4H3,(H2,9,10)
InChIKeyQKIFZDUWEGGAIC-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.42
Rot. Bonds4

About 3,3-dimethyl-2-methylsulfanylpent-4-enamide

3,3-dimethyl-2-methylsulfanylpent-4-enamide (PubChem CID 12592988) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylsulfanylpent-4-enamide.

Molecular Properties

Compound Name3,3-dimethyl-2-methylsulfanylpent-4-enamide
PubChem CID12592988
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name3,3-dimethyl-2-methylsulfanylpent-4-enamide
SMILESC=CC(C)(C)C(SC)C(N)=O
InChIInChI=1S/C8H15NOS/c1-5-8(2,3)6(11-4)7(9)10/h5-6H,1H2,2-4H3,(H2,9,10)
InChIKeyQKIFZDUWEGGAIC-UHFFFAOYSA-N
XLogP1.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylsulfanylpent-4-enamide?
The IUPAC name of 3,3-dimethyl-2-methylsulfanylpent-4-enamide (CID 12592988) is 3,3-dimethyl-2-methylsulfanylpent-4-enamide.
What is the SMILES notation for 3,3-dimethyl-2-methylsulfanylpent-4-enamide?
The canonical SMILES for 3,3-dimethyl-2-methylsulfanylpent-4-enamide is C=CC(C)(C)C(SC)C(N)=O.
What is the InChIKey of 3,3-dimethyl-2-methylsulfanylpent-4-enamide?
The InChIKey is QKIFZDUWEGGAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-5-8(2,3)6(11-4)7(9)10/h5-6H,1H2,2-4H3,(H2,9,10).
What are the key properties of 3,3-dimethyl-2-methylsulfanylpent-4-enamide?
3,3-dimethyl-2-methylsulfanylpent-4-enamide has a molecular weight of 173.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylsulfanylpent-4-enamide is sourced from PubChem (CID 12592988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).