(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide

C14H19NO2S — CID 113394904

IUPAC(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC1CCCCCC1O
InChIInChI=1S/C14H19NO2S/c16-13-7-3-1-2-6-12(13)15-14(17)9-8-11-5-4-10-18-11/h4-5,8-10,12-13,16H,1-3,6-7H2,(H,15,17)/b9-8+
InChIKeyVTAQGFFSHBZFJU-CMDGGOBGSA-N
MW265.38 g/mol
LogP2.57
Rot. Bonds3

About (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide

(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 113394904) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID113394904
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cccs1)NC1CCCCCC1O
InChIInChI=1S/C14H19NO2S/c16-13-7-3-1-2-6-12(13)15-14(17)9-8-11-5-4-10-18-11/h4-5,8-10,12-13,16H,1-3,6-7H2,(H,15,17)/b9-8+
InChIKeyVTAQGFFSHBZFJU-CMDGGOBGSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.57
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-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
CID 76941528
(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 (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide (CID 113394904) is (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide is O=C(/C=C/c1cccs1)NC1CCCCCC1O.
What is the InChIKey of (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is VTAQGFFSHBZFJU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13-7-3-1-2-6-12(13)15-14(17)9-8-11-5-4-10-18-11/h4-5,8-10,12-13,16H,1-3,6-7H2,(H,15,17)/b9-8+.
What are the key properties of (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide?
(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 265.38 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 113394904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).