N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide

C15H21NO2S — CID 76946061

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC1CCCC(CO)(NC(=O)C=Cc2cccs2)C1
InChIInChI=1S/C15H21NO2S/c1-12-4-2-8-15(10-12,11-17)16-14(18)7-6-13-5-3-9-19-13/h3,5-7,9,12,17H,2,4,8,10-11H2,1H3,(H,16,18)
InChIKeyHGJPCPRYTDGMET-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.82
Rot. Bonds4

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 76946061) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID76946061
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
SMILESCC1CCCC(CO)(NC(=O)C=Cc2cccs2)C1
InChIInChI=1S/C15H21NO2S/c1-12-4-2-8-15(10-12,11-17)16-14(18)7-6-13-5-3-9-19-13/h3,5-7,9,12,17H,2,4,8,10-11H2,1H3,(H,16,18)
InChIKeyHGJPCPRYTDGMET-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(4-methylphenyl)prop-2-enamide
CID 76946111
2-[1-(3-thiophen-2-ylprop-2-enoylamino)cyclohexyl]acetic acid
CID 77058374
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 62526504
(E)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 115362327
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 80641116
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720
3-thiophen-2-yl-N-[(1-thiophen-2-ylcyclopentyl)methyl]prop-2-enamide
CID 71960903
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-thiophen-3-ylacetamide
CID 62526838

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide (CID 76946061) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide is CC1CCCC(CO)(NC(=O)C=Cc2cccs2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HGJPCPRYTDGMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12-4-2-8-15(10-12,11-17)16-14(18)7-6-13-5-3-9-19-13/h3,5-7,9,12,17H,2,4,8,10-11H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 279.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 76946061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).