3-methyl-2-methylsulfanylpent-4-enamide

C7H13NOS — CID 12592966

IUPAC3-methyl-2-methylsulfanylpent-4-enamide
SMILESC=CC(C)C(SC)C(N)=O
InChIInChI=1S/C7H13NOS/c1-4-5(2)6(10-3)7(8)9/h4-6H,1H2,2-3H3,(H2,8,9)
InChIKeyCYTDOTPKSSGTBQ-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.03
Rot. Bonds4

About 3-methyl-2-methylsulfanylpent-4-enamide

3-methyl-2-methylsulfanylpent-4-enamide (PubChem CID 12592966) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanylpent-4-enamide.

Molecular Properties

Compound Name3-methyl-2-methylsulfanylpent-4-enamide
PubChem CID12592966
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-methyl-2-methylsulfanylpent-4-enamide
SMILESC=CC(C)C(SC)C(N)=O
InChIInChI=1S/C7H13NOS/c1-4-5(2)6(10-3)7(8)9/h4-6H,1H2,2-3H3,(H2,8,9)
InChIKeyCYTDOTPKSSGTBQ-UHFFFAOYSA-N
XLogP1.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Aminocarbonylmethyl-2-thiolene
CID 129800401
2,3-Dihydrothiophene-2-carboxamide
CID 18423725
2-(2-methyl-3H-thiophen-2-yl)acetamide
CID 18934691
2-Methyl-2-methylsulfanylpent-4-enamide
CID 117667978
3-Methylsulfanylpent-4-enamide
CID 140006384
3,4-dihydro-2H-thiopyran-4-carboxamide
CID 142877567
2,3-dimethyl-2H-thiophene-3-carboxamide
CID 174944364
2-Methylsulfanylpent-4-enamide
CID 12592963
3,3-Dimethyl-2-methylsulfanylpent-4-enamide
CID 12592988
(2R)-2-methyl-2-prop-2-enylsulfanylpent-4-enamide
CID 132563741
(3R)-N-cyclopropylsulfanyl-3-methylpent-4-enamide
CID 143661663
N-cyclopropylsulfanyl-2-methylpent-4-enamide
CID 143826494

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylsulfanylpent-4-enamide?
The IUPAC name of 3-methyl-2-methylsulfanylpent-4-enamide (CID 12592966) is 3-methyl-2-methylsulfanylpent-4-enamide.
What is the SMILES notation for 3-methyl-2-methylsulfanylpent-4-enamide?
The canonical SMILES for 3-methyl-2-methylsulfanylpent-4-enamide is C=CC(C)C(SC)C(N)=O.
What is the InChIKey of 3-methyl-2-methylsulfanylpent-4-enamide?
The InChIKey is CYTDOTPKSSGTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-5(2)6(10-3)7(8)9/h4-6H,1H2,2-3H3,(H2,8,9).
What are the key properties of 3-methyl-2-methylsulfanylpent-4-enamide?
3-methyl-2-methylsulfanylpent-4-enamide has a molecular weight of 159.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanylpent-4-enamide is sourced from PubChem (CID 12592966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).