N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide

C16H22N2OS — CID 71979347

IUPACN-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide
SMILESCCSC1CCCC(NC(=O)C=Cc2cccnc2)C1
InChIInChI=1S/C16H22N2OS/c1-2-20-15-7-3-6-14(11-15)18-16(19)9-8-13-5-4-10-17-12-13/h4-5,8-10,12,14-15H,2-3,6-7,11H2,1H3,(H,18,19)
InChIKeyBYYQVETZIPAVFB-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.28
Rot. Bonds5

About N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide

N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 71979347) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID71979347
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide
SMILESCCSC1CCCC(NC(=O)C=Cc2cccnc2)C1
InChIInChI=1S/C16H22N2OS/c1-2-20-15-7-3-6-14(11-15)18-16(19)9-8-13-5-4-10-17-12-13/h4-5,8-10,12,14-15H,2-3,6-7,11H2,1H3,(H,18,19)
InChIKeyBYYQVETZIPAVFB-UHFFFAOYSA-N
XLogP3.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(Z)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 100831445
(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 98512279
(E)-1-cyclopropyl-3-pyridin-3-ylprop-2-en-1-one
CID 19558824
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 86899439
(E)-N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 117055199
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide (CID 71979347) is N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide is CCSC1CCCC(NC(=O)C=Cc2cccnc2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is BYYQVETZIPAVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-2-20-15-7-3-6-14(11-15)18-16(19)9-8-13-5-4-10-17-12-13/h4-5,8-10,12,14-15H,2-3,6-7,11H2,1H3,(H,18,19).
What are the key properties of N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide?
N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 290.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 71979347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).