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

C13H23NOS — CID 143343051

IUPAC4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
SMILESC=CC1=C(/C=C\CC)C(NC)CS1=O.CC
InChIInChI=1S/C11H17NOS.C2H6/c1-4-6-7-9-10(12-3)8-14(13)11(9)5-2;1-2/h5-7,10,12H,2,4,8H2,1,3H3;1-2H3/b7-6-;
InChIKeyIJQTUCXLMFXOFL-NAFXZHHSSA-N
MW241.40 g/mol
LogP2.77
Rot. Bonds4

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

4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane (PubChem CID 143343051) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
PubChem CID143343051
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
SMILESC=CC1=C(/C=C\CC)C(NC)CS1=O.CC
InChIInChI=1S/C11H17NOS.C2H6/c1-4-6-7-9-10(12-3)8-14(13)11(9)5-2;1-2/h5-7,10,12H,2,4,8H2,1,3H3;1-2H3/b7-6-;
InChIKeyIJQTUCXLMFXOFL-NAFXZHHSSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.77
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
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
4-[(Z)-but-1-enyl]-5-ethenyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
CID 143601982

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;ethane?
The IUPAC name of 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane (CID 143343051) is 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane?
The canonical SMILES for 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane is C=CC1=C(/C=C\CC)C(NC)CS1=O.CC.
What is the InChIKey of 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane?
The InChIKey is IJQTUCXLMFXOFL-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H17NOS.C2H6/c1-4-6-7-9-10(12-3)8-14(13)11(9)5-2;1-2/h5-7,10,12H,2,4,8H2,1,3H3;1-2H3/b7-6-;.
What are the key properties of 4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane?
4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane has a molecular weight of 241.40 g/mol, XLogP of 2.77, 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;ethane is sourced from PubChem (CID 143343051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).