4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine

C11H17NOS — CID 143343052

IUPAC4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\CC)C(NC)CS1=O
InChIInChI=1S/C11H17NOS/c1-4-6-7-9-10(12-3)8-14(13)11(9)5-2/h5-7,10,12H,2,4,8H2,1,3H3/b7-6-
InChIKeyTWUJHINDHAYFRP-SREVYHEPSA-N
MW211.33 g/mol
LogP1.74
Rot. Bonds4

About 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine

4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine (PubChem CID 143343052) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine
PubChem CID143343052
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\CC)C(NC)CS1=O
InChIInChI=1S/C11H17NOS/c1-4-6-7-9-10(12-3)8-14(13)11(9)5-2/h5-7,10,12H,2,4,8H2,1,3H3/b7-6-
InChIKeyTWUJHINDHAYFRP-SREVYHEPSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohepta-1,3,5,6-tetraen-1-yl-N-methyl-2-methylsulfanylethanamine
CID 123352641
ethane;5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143342092
5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143342093
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine;ethane
CID 143342384
1-[4-[(Z)-but-1-enyl]-5-ethenyl-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-methylmethanamine;ethane
CID 143342445
(3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143342778
4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1,1-dioxo-2,3-dihydrothiophen-3-amine;ethane
CID 143342866
4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
CID 143343051
ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143343217
ethane;(3R)-N-methyl-1,1-dioxo-3,6,7,8-tetrahydro-2H-cyclohepta[b]thiophen-3-amine;molecular hydrogen;propane
CID 143344469
ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143587847
ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 143601971

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine?
The IUPAC name of 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine (CID 143343052) is 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine is C=CC1=C(/C=C\CC)C(NC)CS1=O.
What is the InChIKey of 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine?
The InChIKey is TWUJHINDHAYFRP-SREVYHEPSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-6-7-9-10(12-3)8-14(13)11(9)5-2/h5-7,10,12H,2,4,8H2,1,3H3/b7-6-.
What are the key properties of 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine?
4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 143343052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).