(3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine

C10H15NO2S — CID 143342778

IUPAC(3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\C)[C@@H](NC)CS1(=O)=O
InChIInChI=1S/C10H15NO2S/c1-4-6-8-9(11-3)7-14(12,13)10(8)5-2/h4-6,9,11H,2,7H2,1,3H3/b6-4-/t9-/m0/s1
InChIKeyPICLCJVVRXCRDL-RNEXMXFGSA-N
MW213.30 g/mol
LogP1.02
Rot. Bonds3

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

(3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine (PubChem CID 143342778) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name(3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
PubChem CID143342778
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
SMILESC=CC1=C(/C=C\C)[C@@H](NC)CS1(=O)=O
InChIInChI=1S/C10H15NO2S/c1-4-6-8-9(11-3)7-14(12,13)10(8)5-2/h4-6,9,11H,2,7H2,1,3H3/b6-4-/t9-/m0/s1
InChIKeyPICLCJVVRXCRDL-RNEXMXFGSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine with MolForge

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Related Compounds

6,6-bis(1-ethylsulfonylethenyl)-N-methylcyclohexa-2,4-dien-1-amine
CID 68130931
4a,5-dihydro-1H-thiopyrano[4,3-c]isoquinoline 2,2-dioxide
CID 87793591
6-Butylsulfonyl-4-ethylideneocta-2,5,7-trien-1-amine
CID 90768156
2-(Ethylsulfonylmethyl)-1,2-dihydropyridine
CID 129313815
(4Z)-N-methyl-3-(methylamino)-4-[(Z)-prop-1-enyl]octa-4,7-diene-2-sulfonamide
CID 137506030
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
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

Frequently Asked Questions

What is the IUPAC name of (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The IUPAC name of (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine (CID 143342778) is (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The canonical SMILES for (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine is C=CC1=C(/C=C\C)[C@@H](NC)CS1(=O)=O.
What is the InChIKey of (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
The InChIKey is PICLCJVVRXCRDL-RNEXMXFGSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-4-6-8-9(11-3)7-14(12,13)10(8)5-2/h4-6,9,11H,2,7H2,1,3H3/b6-4-/t9-/m0/s1.
What are the key properties of (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine?
(3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine has a molecular weight of 213.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-ethenyl-N-methyl-1,1-dioxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 143342778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).