(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide

C14H19NOS — CID 92909639

IUPAC(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1cccs1
InChIInChI=1S/C14H19NOS/c1-11-5-2-3-7-13(11)15-14(16)9-8-12-6-4-10-17-12/h4,6,8-11,13H,2-3,5,7H2,1H3,(H,15,16)/b9-8-/t11-,13+/m1/s1
InChIKeyPLSHPWORDTXRNN-UUZNHUNUSA-N
MW249.38 g/mol
LogP3.46
Rot. Bonds3

About (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide

(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 92909639) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID92909639
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1cccs1
InChIInChI=1S/C14H19NOS/c1-11-5-2-3-7-13(11)15-14(16)9-8-12-6-4-10-17-12/h4,6,8-11,13H,2-3,5,7H2,1H3,(H,15,16)/b9-8-/t11-,13+/m1/s1
InChIKeyPLSHPWORDTXRNN-UUZNHUNUSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
CID 76941528
(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
CID 113394904
(E)-N-cyclopentyl-3-thiophen-2-ylprop-2-enamide
CID 2164351
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8649411
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 8649414
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-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
CID 43010855
(E)-N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-thiophen-2-ylprop-2-enamide
CID 8899095
(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 115342655
(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082
N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
CID 2381843

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide (CID 92909639) is (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide is C[C@@H]1CCCC[C@@H]1NC(=O)/C=C\c1cccs1.
What is the InChIKey of (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PLSHPWORDTXRNN-UUZNHUNUSA-N. The full InChI is InChI=1S/C14H19NOS/c1-11-5-2-3-7-13(11)15-14(16)9-8-12-6-4-10-17-12/h4,6,8-11,13H,2-3,5,7H2,1H3,(H,15,16)/b9-8-/t11-,13+/m1/s1.
What are the key properties of (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide?
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 249.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 92909639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).