2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene

C18H22S2 — CID 57153297

IUPAC2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene
SMILESc1csc(CC(Cc2cccs2)(CC2CC2)C2CC2)c1
InChIInChI=1S/C18H22S2/c1-3-16(19-9-1)12-18(15-7-8-15,11-14-5-6-14)13-17-4-2-10-20-17/h1-4,9-10,14-15H,5-8,11-13H2
InChIKeyXXOUEBPPDXOCFO-UHFFFAOYSA-N
MW302.51 g/mol
LogP5.79
Rot. Bonds7

About 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene

2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene (PubChem CID 57153297) has the molecular formula C18H22S2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene
PubChem CID57153297
Molecular FormulaC18H22S2
Molecular Weight302.51 g/mol
Exact Mass302.12
IUPAC Name2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene
SMILESc1csc(CC(Cc2cccs2)(CC2CC2)C2CC2)c1
InChIInChI=1S/C18H22S2/c1-3-16(19-9-1)12-18(15-7-8-15,11-14-5-6-14)13-17-4-2-10-20-17/h1-4,9-10,14-15H,5-8,11-13H2
InChIKeyXXOUEBPPDXOCFO-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-chloro-2-(chloromethyl)-3-thiophen-2-ylpropan-2-yl]thiolane 1,1-dioxide
CID 79447281
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 79072850
N-(2-cyclopropyl-2-methyl-3-thiophen-2-ylpropyl)cyclopropanamine
CID 83159341
3-cyclobutyl-2-N,2-dimethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 113489960
2-[4-bromo-3-(bromomethyl)-3-cyclopentylbutyl]thiophene
CID 112571194
2-(4-cyclohexylbutyl)thiophene
CID 142713613
N-(cyclopropylmethyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61151130
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-(4-tert-butylcyclohexyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 104575807
[1-(3-ethylcyclopentyl)-2-thiophen-2-ylethyl]hydrazine
CID 105233652
1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
CID 114458094
2-(2,2-difluoro-2-iodoethyl)thiophene
CID 175168405

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene?
The IUPAC name of 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene (CID 57153297) is 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene.
What is the SMILES notation for 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene?
The canonical SMILES for 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene is c1csc(CC(Cc2cccs2)(CC2CC2)C2CC2)c1.
What is the InChIKey of 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene?
The InChIKey is XXOUEBPPDXOCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22S2/c1-3-16(19-9-1)12-18(15-7-8-15,11-14-5-6-14)13-17-4-2-10-20-17/h1-4,9-10,14-15H,5-8,11-13H2.
What are the key properties of 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene?
2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene has a molecular weight of 302.51 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(cyclopropylmethyl)-3-thiophen-2-ylpropyl]thiophene is sourced from PubChem (CID 57153297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).