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

C11H19NO2S — CID 143343217

IUPACethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\C)C(N)CS1(=O)=O.CC
InChIInChI=1S/C9H13NO2S.C2H6/c1-3-5-7-8(10)6-13(11,12)9(7)4-2;1-2/h3-5,8H,2,6,10H2,1H3;1-2H3/b5-3-;
InChIKeyWSCZRQSWQZQSRO-FBZPGIPVSA-N
MW229.34 g/mol
LogP1.78
Rot. Bonds2

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

ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine (PubChem CID 143343217) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Nameethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
PubChem CID143343217
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Nameethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\C)C(N)CS1(=O)=O.CC
InChIInChI=1S/C9H13NO2S.C2H6/c1-3-5-7-8(10)6-13(11,12)9(7)4-2;1-2/h3-5,8H,2,6,10H2,1H3;1-2H3/b5-3-;
InChIKeyWSCZRQSWQZQSRO-FBZPGIPVSA-N
XLogP1.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442
3-(4-Methylpent-3-enylsulfonyl)propan-1-amine
CID 58684766
3-[(2Z,4E)-5-aminohexa-2,4-dienyl]sulfonylcyclohexa-2,4-dien-1-amine
CID 59901878
(4-Methylsulfonylcyclohexa-1,5-dien-1-yl)methanamine
CID 67989460
6,6-Bis(1-ethylsulfonylethenyl)-4-methylcyclohexa-2,4-dien-1-amine
CID 68130460
N-(4-methylhepta-4,6-dien-3-yl)butane-1-sulfonamide
CID 73735614
2-Methylsulfonylcyclohexa-2,4-dien-1-amine
CID 89076303
6-Butylsulfonyl-4-ethylideneocta-2,5,7-trien-1-amine
CID 90768156
N-[(3S)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 90955040
2-Amino-3-ethylidenehex-4-ene-1-sulfonic acid
CID 90955315

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The IUPAC name of ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine (CID 143343217) is ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The canonical SMILES for ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine is C=CC1=C(/C=C\C)C(N)CS1(=O)=O.CC.
What is the InChIKey of ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The InChIKey is WSCZRQSWQZQSRO-FBZPGIPVSA-N. The full InChI is InChI=1S/C9H13NO2S.C2H6/c1-3-5-7-8(10)6-13(11,12)9(7)4-2;1-2/h3-5,8H,2,6,10H2,1H3;1-2H3/b5-3-;.
What are the key properties of ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine has a molecular weight of 229.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 143343217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).