1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine

C11H17NS — CID 170286317

IUPAC1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine
SMILESC=CC1CCC(C(=C)NC)=C(C)S1
InChIInChI=1S/C11H17NS/c1-5-10-6-7-11(8(2)12-4)9(3)13-10/h5,10,12H,1-2,6-7H2,3-4H3
InChIKeyGKOZNXSYWCCZOA-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine

1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine (PubChem CID 170286317) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine
PubChem CID170286317
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine
SMILESC=CC1CCC(C(=C)NC)=C(C)S1
InChIInChI=1S/C11H17NS/c1-5-10-6-7-11(8(2)12-4)9(3)13-10/h5,10,12H,1-2,6-7H2,3-4H3
InChIKeyGKOZNXSYWCCZOA-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentyl-2,3-dihydro-1,3-thiazole
CID 142972441
4-ethyl-2-[(E)-1-ethylsulfanylprop-1-enyl]-N-methylcyclohepta-1,3,6-trien-1-amine
CID 134334273
(4Z,6Z)-5-N,4-bis(ethenyl)-3-methylidene-1-methylsulfanylocta-4,6-diene-1,5-diamine
CID 139563718
ethane;(3Z,7E)-7-ethyl-N,10-dimethyl-6-methylidenetrideca-1,3,7,9,12-pentaen-4-amine;N-methylmethanamine;2-methylsulfanylpropane;propane
CID 143376744
4-methyl-N-[[(Z)-prop-1-enyl]sulfanylmethyl]cyclohexa-1,3-dien-1-amine
CID 156315408
N-methyl-1-[2-[(Z)-prop-1-enyl]-3a,7a-dihydro-1-benzothiophen-6-yl]ethenamine
CID 170142680
N-methyl-2-thiabicyclo[5.1.0]octa-1(7),3,5-trien-6-amine
CID 170407358
(3E)-5-[[(2E)-3-ethylhexa-2,4-dienyl]-dimethyl-lambda4-sulfanyl]-N-methylhepta-1,3-dien-4-amine
CID 141786372
(3Z)-3-(1-cyclohexylsulfanylethylidene)-N-ethylhept-1-en-2-amine
CID 143364875
N-[cyclohexen-1-yl(ethylsulfanyl)methyl]ethenamine
CID 143454063
(5Z,6Z)-5-ethylidene-6-methyl-3-methylidene-N-[[4-[methylidene-(1-methylpiperidin-4-yl)-lambda4-sulfanyl]cyclohexa-1,5-dien-1-yl]methyl]nona-1,6,8-trien-2-amine
CID 145628887
1-[4-(3,4-dimethyl-2H-1,3-thiazol-5-yl)cyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 166143186

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine?
The IUPAC name of 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine (CID 170286317) is 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine.
What is the SMILES notation for 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine?
The canonical SMILES for 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine is C=CC1CCC(C(=C)NC)=C(C)S1.
What is the InChIKey of 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine?
The InChIKey is GKOZNXSYWCCZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-10-6-7-11(8(2)12-4)9(3)13-10/h5,10,12H,1-2,6-7H2,3-4H3.
What are the key properties of 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine?
1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine has a molecular weight of 195.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-6-methyl-3,4-dihydro-2H-thiopyran-5-yl)-N-methylethenamine is sourced from PubChem (CID 170286317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).