(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

C15H21NO2S — CID 103860357

IUPAC(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCCC2CO)s1
InChIInChI=1S/C15H21NO2S/c1-11-6-7-13(19-11)8-9-15(18)16-14-5-3-2-4-12(14)10-17/h6-9,12,14,17H,2-5,10H2,1H3,(H,16,18)/b9-8+
InChIKeyJACOQJYLIRYZGL-CMDGGOBGSA-N
MW279.40 g/mol
LogP2.74
Rot. Bonds4

About (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 103860357) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID103860357
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NC2CCCCC2CO)s1
InChIInChI=1S/C15H21NO2S/c1-11-6-7-13(19-11)8-9-15(18)16-14-5-3-2-4-12(14)10-17/h6-9,12,14,17H,2-5,10H2,1H3,(H,16,18)/b9-8+
InChIKeyJACOQJYLIRYZGL-CMDGGOBGSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 113259271
(E)-N-(2-hydroxycyclohexyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 55063839
N-cyclopentyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 78909471
(E)-N-cycloheptyl-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427568
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-methylphenyl)prop-2-enamide
CID 103751562
(E)-3-(2,4-dimethylphenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860372
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-3-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798353
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
(E)-3-(2-chlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 103774226
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 103774213

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 103860357) is (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NC2CCCCC2CO)s1.
What is the InChIKey of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is JACOQJYLIRYZGL-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-6-7-13(19-11)8-9-15(18)16-14-5-3-2-4-12(14)10-17/h6-9,12,14,17H,2-5,10H2,1H3,(H,16,18)/b9-8+.
What are the key properties of (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 279.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 103860357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).