N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide

C13H17NO2S — CID 76941528

IUPACN-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NC1CCCCC1O
InChIInChI=1S/C13H17NO2S/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,7-9,11-12,15H,1-2,5-6H2,(H,14,16)
InChIKeyDCMDOZBXNLVEKZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.18
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide

N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 76941528) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID76941528
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NC1CCCCC1O
InChIInChI=1S/C13H17NO2S/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,7-9,11-12,15H,1-2,5-6H2,(H,14,16)
InChIKeyDCMDOZBXNLVEKZ-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.18
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-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
CID 113394904
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
(E)-N-(2-hydroxycyclohexyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 55063839
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
N-[(3S)-pyrrolidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 79688551
(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 104645422
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 8899095
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide (CID 76941528) is N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is DCMDOZBXNLVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,7-9,11-12,15H,1-2,5-6H2,(H,14,16).
What are the key properties of N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide?
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 251.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 76941528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).