N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine

C12H16N2S — CID 143076346

IUPACN,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine
SMILESC=C(CN(C)C)SC(=C)c1cccnc1
InChIInChI=1S/C12H16N2S/c1-10(9-14(3)4)15-11(2)12-6-5-7-13-8-12/h5-8H,1-2,9H2,3-4H3
InChIKeyBCEZYRVVHCSZHI-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.86
Rot. Bonds5

About N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine

N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine (PubChem CID 143076346) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine
PubChem CID143076346
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine
SMILESC=C(CN(C)C)SC(=C)c1cccnc1
InChIInChI=1S/C12H16N2S/c1-10(9-14(3)4)15-11(2)12-6-5-7-13-8-12/h5-8H,1-2,9H2,3-4H3
InChIKeyBCEZYRVVHCSZHI-UHFFFAOYSA-N
XLogP2.86
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-(2-oxo-2-pyridin-3-ylethyl)-3-prop-1-en-2-ylurea;ethane
CID 144688664
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
4-pyridin-3-ylpent-4-en-2-ol
CID 130129461
2-(pyridine-3-carbonyl)prop-2-enyl N,N-dimethylcarbamodithioate
CID 138373803
3-(dimethylamino)-3-pyridin-3-ylprop-2-enal
CID 173045135
N-(chloromethyl)-N-methylpyridine-3-carboxamide
CID 141227221
N,N-diethyl-N'-hydroxypyridine-3-carboximidamide
CID 57189340
1-pyridin-3-yl-N,N-bis(pyridin-2-ylmethyl)ethenamine
CID 118234431
(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;ethanol
CID 141451458
3-(dimethylamino)propyl pyridine-3-carboxylate
CID 141402583

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine?
The IUPAC name of N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine (CID 143076346) is N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine is C=C(CN(C)C)SC(=C)c1cccnc1.
What is the InChIKey of N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine?
The InChIKey is BCEZYRVVHCSZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-10(9-14(3)4)15-11(2)12-6-5-7-13-8-12/h5-8H,1-2,9H2,3-4H3.
What are the key properties of N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine?
N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine has a molecular weight of 220.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-pyridin-3-ylethenylsulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 143076346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).