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

C14H27NOS — CID 143602023

IUPACethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\C)C(NC)CS1=O.CC.CC
InChIInChI=1S/C10H15NOS.2C2H6/c1-4-6-8-9(11-3)7-13(12)10(8)5-2;2*1-2/h4-6,9,11H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyACKVPJMEDMPFCL-XFUGJFOESA-N
MW257.44 g/mol
LogP3.41
Rot. Bonds3

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

ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine (PubChem CID 143602023) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Nameethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
PubChem CID143602023
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Nameethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\C)C(NC)CS1=O.CC.CC
InChIInChI=1S/C10H15NOS.2C2H6/c1-4-6-8-9(11-3)7-13(12)10(8)5-2;2*1-2/h4-6,9,11H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyACKVPJMEDMPFCL-XFUGJFOESA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.41
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 ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The IUPAC name of ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine (CID 143602023) is ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The canonical SMILES for ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine is C=CC1=C(/C=C\C)C(NC)CS1=O.CC.CC.
What is the InChIKey of ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The InChIKey is ACKVPJMEDMPFCL-XFUGJFOESA-N. The full InChI is InChI=1S/C10H15NOS.2C2H6/c1-4-6-8-9(11-3)7-13(12)10(8)5-2;2*1-2/h4-6,9,11H,2,7H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine has a molecular weight of 257.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 143602023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).