1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole

C14H19NS — CID 15233484

IUPAC1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole
SMILESC1=CCN(C2(c3cccs3)CCCCC2)C1
InChIInChI=1S/C14H19NS/c1-2-8-14(9-3-1,13-7-6-12-16-13)15-10-4-5-11-15/h4-7,12H,1-3,8-11H2
InChIKeyZMXZSPSZEOZHJE-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.78
Rot. Bonds2

About 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole

1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole (PubChem CID 15233484) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole
PubChem CID15233484
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole
SMILESC1=CCN(C2(c3cccs3)CCCCC2)C1
InChIInChI=1S/C14H19NS/c1-2-8-14(9-3-1,13-7-6-12-16-13)15-10-4-5-11-15/h4-7,12H,1-3,8-11H2
InChIKeyZMXZSPSZEOZHJE-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6-decadeuterio-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrochloride
CID 71752356
2,4-dichlorophenol;1-(1-thiophen-2-ylcyclohexyl)piperidine
CID 175517602
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
4-(4-fluorophenyl)-8-(1-thiophen-2-ylcyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 11269915
dimethyl-(1-thiophen-2-ylcyclopentyl)phosphane
CID 175478695
N-methyl-1-(1-thiophen-2-ylcyclohexyl)ethanamine
CID 68673941
N-propan-2-yl-1-thiophen-2-ylcyclohexan-1-amine
CID 146535079
5-(1-thiophen-2-ylcyclopentyl)-1,3-thiazol-2-amine
CID 125431591
2-[1-(2-methylpropyl)cyclohexyl]thiophene
CID 121406244
2-[4-(3-thiophen-2-ylthian-3-yl)piperazin-1-yl]ethanol
CID 10425683
2-methyl-2-thiophen-2-ylpiperidine
CID 83530082
[(1R,2S)-2-piperidin-1-yl-2-thiophen-2-ylcyclohexyl]methanol
CID 15103557

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole?
The IUPAC name of 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole (CID 15233484) is 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole.
What is the SMILES notation for 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole?
The canonical SMILES for 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole is C1=CCN(C2(c3cccs3)CCCCC2)C1.
What is the InChIKey of 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole?
The InChIKey is ZMXZSPSZEOZHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-8-14(9-3-1,13-7-6-12-16-13)15-10-4-5-11-15/h4-7,12H,1-3,8-11H2.
What are the key properties of 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole?
1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole has a molecular weight of 233.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylcyclohexyl)-2,5-dihydropyrrole is sourced from PubChem (CID 15233484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).