dicyclohexylazanium;2-thiophen-3-ylacetate

C18H29NO2S — CID 139058148

IUPACdicyclohexylazanium;2-thiophen-3-ylacetate
SMILESC1CCC([NH2+]C2CCCCC2)CC1.O=C([O-])Cc1ccsc1
InChIInChI=1S/C12H23N.C6H6O2S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6(8)3-5-1-2-9-4-5/h11-13H,1-10H2;1-2,4H,3H2,(H,7,8)
InChIKeyPOTSYVRTGXXYMX-UHFFFAOYSA-N
MW323.50 g/mol
LogP2.26
Rot. Bonds4

About dicyclohexylazanium;2-thiophen-3-ylacetate

dicyclohexylazanium;2-thiophen-3-ylacetate (PubChem CID 139058148) has the molecular formula C18H29NO2S and a molecular weight of 323.50 g/mol. Its IUPAC name is dicyclohexylazanium;2-thiophen-3-ylacetate.

Molecular Properties

Compound Namedicyclohexylazanium;2-thiophen-3-ylacetate
PubChem CID139058148
Molecular FormulaC18H29NO2S
Molecular Weight323.50 g/mol
Exact Mass323.19
IUPAC Namedicyclohexylazanium;2-thiophen-3-ylacetate
SMILESC1CCC([NH2+]C2CCCCC2)CC1.O=C([O-])Cc1ccsc1
InChIInChI=1S/C12H23N.C6H6O2S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6(8)3-5-1-2-9-4-5/h11-13H,1-10H2;1-2,4H,3H2,(H,7,8)
InChIKeyPOTSYVRTGXXYMX-UHFFFAOYSA-N
XLogP2.26
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654
4-cyclopentyl-1-thiophen-3-ylbutan-2-one
CID 61055455
N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 103774160
sodium 2-oxo-3-thiophen-3-ylpropanoate
CID 59933677
[2-(cyclohexylamino)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 2591089
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-[2-(chloromethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106365962
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
CID 61123402
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819

Frequently Asked Questions

What is the IUPAC name of dicyclohexylazanium;2-thiophen-3-ylacetate?
The IUPAC name of dicyclohexylazanium;2-thiophen-3-ylacetate (CID 139058148) is dicyclohexylazanium;2-thiophen-3-ylacetate.
What is the SMILES notation for dicyclohexylazanium;2-thiophen-3-ylacetate?
The canonical SMILES for dicyclohexylazanium;2-thiophen-3-ylacetate is C1CCC([NH2+]C2CCCCC2)CC1.O=C([O-])Cc1ccsc1.
What is the InChIKey of dicyclohexylazanium;2-thiophen-3-ylacetate?
The InChIKey is POTSYVRTGXXYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C6H6O2S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6(8)3-5-1-2-9-4-5/h11-13H,1-10H2;1-2,4H,3H2,(H,7,8).
What are the key properties of dicyclohexylazanium;2-thiophen-3-ylacetate?
dicyclohexylazanium;2-thiophen-3-ylacetate has a molecular weight of 323.50 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexylazanium;2-thiophen-3-ylacetate is sourced from PubChem (CID 139058148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).